USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 919 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 HIS : no HD1:sc= -0.4 X(o=-0.34,f=-0.01) USER MOD Set 1.2: A 103 THR OG1 : rot 158:sc= 0.0606 USER MOD Set 2.1: A 59 MET CE :methyl 135:sc= -1.37 (180deg=-2.64) USER MOD Set 2.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 51 THR OG1 : rot 88:sc= -2.07 USER MOD Set 3.2: A 97 MET CE :methyl 179:sc= -2.22 (180deg=-0.252) USER MOD Set 4.1: A 13 SER OG : rot 180:sc= -0.98 USER MOD Set 4.2: A 92 ASN : amide:sc= -3.71! C(o=-4.7!,f=-5.8!) USER MOD Single : A 2 SER OG : rot -55:sc= 1.14 USER MOD Single : A 4 SER OG : rot 36:sc= 0.197 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.315 X(o=-0.32,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 92:sc= 0.0463 USER MOD Single : A 31 SER OG : rot -71:sc= 1.26 USER MOD Single : A 32 THR OG1 : rot 80:sc= 0.0934 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -3.03 K(o=-3,f=-1.1) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 130:sc= -1.48 USER MOD Single : A 44 THR OG1 : rot -67:sc= 0.0926 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.37! K(o=-2.4!,f=-0.77) USER MOD Single : A 54 SER OG : rot -47:sc= 0.185 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 145:sc= -4.07! (180deg=-4.32!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -135:sc= -1.12 (180deg=-2.76!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 78 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 88 MET CE :methyl -131:sc= -1.02 (180deg=-2.55!) USER MOD Single : A 93 ASN : amide:sc= -2.13! C(o=-2.1!,f=-5.8!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.24) USER MOD Single : A 101 LYS NZ :NH3+ 145:sc= -0.521 (180deg=-2.54!) USER MOD Single : A 102 MET CE :methyl -137:sc= -0.425 (180deg=-0.746) USER MOD Single : A 105 GLN : amide:sc=-0.000707 K(o=-0.00071,f=0.76) USER MOD Single : A 106 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.13) USER MOD Single : A 109 SER OG : rot -87:sc= 1.21 USER MOD Single : A 111 TYR OH : rot 165:sc= -0.893 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -13.385 10.976 5.932 1.00 0.00 N ATOM 2 CA PRO A 1 -13.219 9.600 6.440 1.00 0.00 C ATOM 3 C PRO A 1 -13.004 8.599 5.306 1.00 0.00 C ATOM 4 O PRO A 1 -13.909 7.844 4.949 1.00 0.00 O ATOM 5 CB PRO A 1 -14.487 9.268 7.217 1.00 0.00 C ATOM 6 CG PRO A 1 -15.471 10.325 6.805 1.00 0.00 C ATOM 7 CD PRO A 1 -14.670 11.538 6.375 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.341 10.976 4.913 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.619 11.562 6.264 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.335 9.535 7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -14.852 8.270 6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.310 9.289 8.292 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -16.099 9.969 5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -16.135 10.576 7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -15.167 12.080 5.571 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -14.536 12.240 7.198 1.00 0.00 H new ATOM 17 N SER A 2 -11.800 8.600 4.744 1.00 0.00 N ATOM 18 CA SER A 2 -11.464 7.692 3.652 1.00 0.00 C ATOM 19 C SER A 2 -9.954 7.511 3.540 1.00 0.00 C ATOM 20 O SER A 2 -9.463 6.391 3.397 1.00 0.00 O ATOM 21 CB SER A 2 -12.027 8.221 2.332 1.00 0.00 C ATOM 22 OG SER A 2 -12.410 7.158 1.477 1.00 0.00 O ATOM 0 H SER A 2 -11.040 9.219 5.026 1.00 0.00 H new ATOM 0 HA SER A 2 -11.912 6.722 3.867 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.887 8.860 2.530 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.279 8.839 1.836 1.00 0.00 H new ATOM 0 HG SER A 2 -11.648 6.557 1.341 1.00 0.00 H new ATOM 28 N HIS A 3 -9.225 8.618 3.603 1.00 0.00 N ATOM 29 CA HIS A 3 -7.769 8.582 3.508 1.00 0.00 C ATOM 30 C HIS A 3 -7.168 7.725 4.616 1.00 0.00 C ATOM 31 O HIS A 3 -6.079 7.171 4.466 1.00 0.00 O ATOM 32 CB HIS A 3 -7.195 9.999 3.575 1.00 0.00 C ATOM 33 CG HIS A 3 -7.273 10.736 2.275 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.464 11.088 1.678 1.00 0.00 N ATOM 35 CD2 HIS A 3 -6.295 11.191 1.457 1.00 0.00 C ATOM 36 CE1 HIS A 3 -8.217 11.726 0.547 1.00 0.00 C ATOM 37 NE2 HIS A 3 -6.909 11.801 0.391 1.00 0.00 N ATOM 0 H HIS A 3 -9.617 9.552 3.719 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.507 8.136 2.548 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.732 10.564 4.337 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.153 9.946 3.892 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.231 11.093 1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.959 12.119 -0.133 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.431 12.241 -0.395 1.00 0.00 H new ATOM 46 N SER A 4 -7.886 7.620 5.726 1.00 0.00 N ATOM 47 CA SER A 4 -7.429 6.832 6.863 1.00 0.00 C ATOM 48 C SER A 4 -8.424 5.724 7.191 1.00 0.00 C ATOM 49 O SER A 4 -9.616 5.975 7.371 1.00 0.00 O ATOM 50 CB SER A 4 -7.224 7.729 8.085 1.00 0.00 C ATOM 51 OG SER A 4 -8.418 8.415 8.419 1.00 0.00 O ATOM 0 H SER A 4 -8.790 8.072 5.864 1.00 0.00 H new ATOM 0 HA SER A 4 -6.477 6.374 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.898 7.126 8.932 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.431 8.449 7.883 1.00 0.00 H new ATOM 0 HG SER A 4 -9.188 7.833 8.250 1.00 0.00 H new ATOM 57 N GLY A 5 -7.922 4.497 7.267 1.00 0.00 N ATOM 58 CA GLY A 5 -8.769 3.362 7.575 1.00 0.00 C ATOM 59 C GLY A 5 -7.971 2.187 8.097 1.00 0.00 C ATOM 60 O GLY A 5 -6.822 1.987 7.700 1.00 0.00 O ATOM 0 H GLY A 5 -6.939 4.268 7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.512 3.654 8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.313 3.062 6.680 1.00 0.00 H new ATOM 64 N ALA A 6 -8.568 1.410 8.992 1.00 0.00 N ATOM 65 CA ALA A 6 -7.885 0.259 9.562 1.00 0.00 C ATOM 66 C ALA A 6 -7.550 -0.770 8.493 1.00 0.00 C ATOM 67 O ALA A 6 -8.355 -1.050 7.606 1.00 0.00 O ATOM 68 CB ALA A 6 -8.719 -0.379 10.656 1.00 0.00 C ATOM 0 H ALA A 6 -9.517 1.555 9.336 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.952 0.616 9.998 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.186 -1.237 11.066 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.899 0.348 11.448 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.672 -0.708 10.242 1.00 0.00 H new ATOM 74 N ALA A 7 -6.351 -1.329 8.588 1.00 0.00 N ATOM 75 CA ALA A 7 -5.899 -2.331 7.632 1.00 0.00 C ATOM 76 C ALA A 7 -4.851 -3.260 8.238 1.00 0.00 C ATOM 77 O ALA A 7 -4.067 -2.851 9.094 1.00 0.00 O ATOM 78 CB ALA A 7 -5.340 -1.651 6.393 1.00 0.00 C ATOM 0 H ALA A 7 -5.674 -1.106 9.317 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.760 -2.940 7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.004 -2.407 5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.116 -1.040 5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.498 -1.018 6.674 1.00 0.00 H new ATOM 84 N ILE A 8 -4.838 -4.514 7.786 1.00 0.00 N ATOM 85 CA ILE A 8 -3.882 -5.496 8.282 1.00 0.00 C ATOM 86 C ILE A 8 -2.677 -5.608 7.363 1.00 0.00 C ATOM 87 O ILE A 8 -2.803 -5.548 6.140 1.00 0.00 O ATOM 88 CB ILE A 8 -4.508 -6.896 8.389 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.831 -6.840 9.135 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.556 -7.871 9.071 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.651 -8.083 8.925 1.00 0.00 C ATOM 0 H ILE A 8 -5.479 -4.871 7.078 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.578 -5.146 9.268 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.696 -7.254 7.377 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.641 -6.707 10.200 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.398 -5.971 8.802 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.024 -8.853 9.133 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.635 -7.944 8.493 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.327 -7.514 10.075 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.587 -7.999 9.477 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.865 -8.203 7.863 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.096 -8.950 9.283 1.00 0.00 H new ATOM 103 N PHE A 9 -1.516 -5.801 7.965 1.00 0.00 N ATOM 104 CA PHE A 9 -0.284 -5.958 7.212 1.00 0.00 C ATOM 105 C PHE A 9 0.633 -6.946 7.921 1.00 0.00 C ATOM 106 O PHE A 9 1.216 -6.635 8.956 1.00 0.00 O ATOM 107 CB PHE A 9 0.414 -4.610 7.032 1.00 0.00 C ATOM 108 CG PHE A 9 1.698 -4.700 6.259 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.717 -5.235 4.981 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.884 -4.251 6.811 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.896 -5.319 4.268 1.00 0.00 C ATOM 112 CE2 PHE A 9 4.069 -4.333 6.105 1.00 0.00 C ATOM 113 CZ PHE A 9 4.076 -4.868 4.831 1.00 0.00 C ATOM 0 H PHE A 9 -1.401 -5.853 8.977 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.524 -6.348 6.223 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.262 -3.925 6.520 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.619 -4.182 8.013 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.799 -5.590 4.538 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.884 -3.831 7.806 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.897 -5.736 3.272 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.988 -3.980 6.548 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.000 -4.934 4.276 1.00 0.00 H new ATOM 123 N GLU A 10 0.739 -8.147 7.355 1.00 0.00 N ATOM 124 CA GLU A 10 1.569 -9.205 7.919 1.00 0.00 C ATOM 125 C GLU A 10 0.872 -9.886 9.099 1.00 0.00 C ATOM 126 O GLU A 10 1.469 -10.074 10.160 1.00 0.00 O ATOM 127 CB GLU A 10 2.929 -8.658 8.353 1.00 0.00 C ATOM 128 CG GLU A 10 3.624 -7.833 7.281 1.00 0.00 C ATOM 129 CD GLU A 10 5.014 -7.389 7.695 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.350 -7.524 8.891 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.766 -6.907 6.822 1.00 0.00 O ATOM 0 H GLU A 10 0.254 -8.411 6.497 1.00 0.00 H new ATOM 0 HA GLU A 10 1.727 -9.950 7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.797 -8.044 9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.574 -9.491 8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.692 -8.419 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.019 -6.955 7.054 1.00 0.00 H new ATOM 138 N LYS A 11 -0.388 -10.274 8.897 1.00 0.00 N ATOM 139 CA LYS A 11 -1.162 -10.957 9.919 1.00 0.00 C ATOM 140 C LYS A 11 -1.369 -10.105 11.170 1.00 0.00 C ATOM 141 O LYS A 11 -1.806 -10.609 12.203 1.00 0.00 O ATOM 142 CB LYS A 11 -0.474 -12.265 10.268 1.00 0.00 C ATOM 143 CG LYS A 11 -0.815 -13.389 9.309 1.00 0.00 C ATOM 144 CD LYS A 11 0.134 -14.566 9.465 1.00 0.00 C ATOM 145 CE LYS A 11 -0.187 -15.674 8.476 1.00 0.00 C ATOM 146 NZ LYS A 11 0.130 -17.021 9.028 1.00 0.00 N ATOM 0 H LYS A 11 -0.893 -10.122 8.024 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.156 -11.152 9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.605 -12.112 10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.757 -12.559 11.279 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.838 -13.720 9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.772 -13.019 8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.160 -14.230 9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.070 -14.954 10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.243 -15.630 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.378 -15.516 7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.103 -17.749 8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.143 -17.073 9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.428 -17.183 9.890 1.00 0.00 H new ATOM 160 N VAL A 12 -1.090 -8.809 11.069 1.00 0.00 N ATOM 161 CA VAL A 12 -1.284 -7.905 12.181 1.00 0.00 C ATOM 162 C VAL A 12 -2.182 -6.762 11.739 1.00 0.00 C ATOM 163 O VAL A 12 -2.057 -6.270 10.620 1.00 0.00 O ATOM 164 CB VAL A 12 0.050 -7.355 12.719 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.183 -6.434 13.909 1.00 0.00 C ATOM 166 CG2 VAL A 12 0.981 -8.497 13.097 1.00 0.00 C ATOM 0 H VAL A 12 -0.728 -8.367 10.224 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.752 -8.459 12.994 1.00 0.00 H new ATOM 0 HB VAL A 12 0.523 -6.771 11.929 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.774 -6.058 14.271 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.810 -5.596 13.603 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.680 -6.987 14.705 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.919 -8.091 13.475 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.513 -9.108 13.868 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.179 -9.111 12.218 1.00 0.00 H new ATOM 176 N SER A 13 -3.110 -6.363 12.597 1.00 0.00 N ATOM 177 CA SER A 13 -4.039 -5.297 12.250 1.00 0.00 C ATOM 178 C SER A 13 -3.642 -3.974 12.885 1.00 0.00 C ATOM 179 O SER A 13 -3.111 -3.929 13.995 1.00 0.00 O ATOM 180 CB SER A 13 -5.461 -5.671 12.673 1.00 0.00 C ATOM 181 OG SER A 13 -5.730 -7.037 12.402 1.00 0.00 O ATOM 0 H SER A 13 -3.239 -6.756 13.529 1.00 0.00 H new ATOM 0 HA SER A 13 -4.004 -5.174 11.168 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.591 -5.476 13.737 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.178 -5.044 12.144 1.00 0.00 H new ATOM 0 HG SER A 13 -6.644 -7.252 12.683 1.00 0.00 H new ATOM 187 N GLY A 14 -3.913 -2.899 12.159 1.00 0.00 N ATOM 188 CA GLY A 14 -3.598 -1.571 12.632 1.00 0.00 C ATOM 189 C GLY A 14 -4.288 -0.511 11.800 1.00 0.00 C ATOM 190 O GLY A 14 -5.013 -0.832 10.858 1.00 0.00 O ATOM 0 H GLY A 14 -4.352 -2.927 11.239 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.902 -1.473 13.674 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.519 -1.417 12.598 1.00 0.00 H new ATOM 194 N ILE A 15 -4.072 0.752 12.140 1.00 0.00 N ATOM 195 CA ILE A 15 -4.691 1.843 11.403 1.00 0.00 C ATOM 196 C ILE A 15 -3.781 2.336 10.285 1.00 0.00 C ATOM 197 O ILE A 15 -2.610 2.646 10.505 1.00 0.00 O ATOM 198 CB ILE A 15 -5.067 3.007 12.340 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.140 2.529 13.333 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.542 4.216 11.538 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.444 3.301 13.272 1.00 0.00 C ATOM 0 H ILE A 15 -3.477 1.045 12.915 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.606 1.456 10.955 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.187 3.322 12.901 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.347 1.476 13.145 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.738 2.599 14.344 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.802 5.026 12.220 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.746 4.545 10.871 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.418 3.941 10.950 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.141 2.896 14.006 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.255 4.352 13.492 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.874 3.211 12.274 1.00 0.00 H new ATOM 213 N ILE A 16 -4.337 2.392 9.082 1.00 0.00 N ATOM 214 CA ILE A 16 -3.601 2.830 7.910 1.00 0.00 C ATOM 215 C ILE A 16 -3.960 4.272 7.555 1.00 0.00 C ATOM 216 O ILE A 16 -5.112 4.580 7.250 1.00 0.00 O ATOM 217 CB ILE A 16 -3.897 1.890 6.712 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.733 0.918 6.502 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.179 2.679 5.435 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.841 0.084 5.241 1.00 0.00 C ATOM 0 H ILE A 16 -5.306 2.136 8.895 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.535 2.789 8.135 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.795 1.319 6.947 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.802 1.484 6.471 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.672 0.251 7.362 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.382 1.987 4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.045 3.323 5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.312 3.291 5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.978 -0.578 5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.753 -0.512 5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.870 0.741 4.372 1.00 0.00 H new ATOM 232 N ALA A 17 -2.963 5.150 7.594 1.00 0.00 N ATOM 233 CA ALA A 17 -3.171 6.556 7.274 1.00 0.00 C ATOM 234 C ALA A 17 -2.458 6.924 5.980 1.00 0.00 C ATOM 235 O ALA A 17 -1.369 6.426 5.698 1.00 0.00 O ATOM 236 CB ALA A 17 -2.688 7.437 8.416 1.00 0.00 C ATOM 0 H ALA A 17 -2.003 4.912 7.844 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.239 6.722 7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.850 8.484 8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.242 7.194 9.323 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.625 7.265 8.584 1.00 0.00 H new ATOM 242 N ILE A 18 -3.077 7.797 5.194 1.00 0.00 N ATOM 243 CA ILE A 18 -2.499 8.224 3.932 1.00 0.00 C ATOM 244 C ILE A 18 -1.872 9.610 4.067 1.00 0.00 C ATOM 245 O ILE A 18 -2.553 10.583 4.389 1.00 0.00 O ATOM 246 CB ILE A 18 -3.568 8.223 2.812 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.503 6.913 2.025 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.400 9.414 1.880 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.800 6.562 1.332 1.00 0.00 C ATOM 0 H ILE A 18 -3.979 8.221 5.411 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.716 7.516 3.662 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.548 8.308 3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.710 6.984 1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.232 6.104 2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.167 9.381 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.498 10.338 2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.414 9.377 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.682 5.622 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.592 6.458 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.062 7.352 0.629 1.00 0.00 H new ATOM 261 N ASN A 19 -0.570 9.690 3.816 1.00 0.00 N ATOM 262 CA ASN A 19 0.148 10.955 3.908 1.00 0.00 C ATOM 263 C ASN A 19 0.566 11.443 2.525 1.00 0.00 C ATOM 264 O ASN A 19 1.451 10.866 1.894 1.00 0.00 O ATOM 265 CB ASN A 19 1.379 10.803 4.805 1.00 0.00 C ATOM 266 CG ASN A 19 1.534 11.955 5.778 1.00 0.00 C ATOM 267 OD1 ASN A 19 1.875 11.755 6.943 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.285 13.168 5.303 1.00 0.00 N ATOM 0 H ASN A 19 0.009 8.894 3.548 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.521 11.695 4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.306 9.869 5.362 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.272 10.734 4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.374 13.982 5.911 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.005 13.287 4.329 1.00 0.00 H new ATOM 275 N GLU A 20 -0.074 12.510 2.063 1.00 0.00 N ATOM 276 CA GLU A 20 0.231 13.080 0.757 1.00 0.00 C ATOM 277 C GLU A 20 0.862 14.464 0.895 1.00 0.00 C ATOM 278 O GLU A 20 1.303 15.055 -0.091 1.00 0.00 O ATOM 279 CB GLU A 20 -1.037 13.166 -0.096 1.00 0.00 C ATOM 280 CG GLU A 20 -2.269 13.600 0.681 1.00 0.00 C ATOM 281 CD GLU A 20 -3.504 13.707 -0.193 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.371 13.582 -1.430 1.00 0.00 O ATOM 283 OE2 GLU A 20 -4.604 13.917 0.359 1.00 0.00 O ATOM 0 H GLU A 20 -0.809 12.999 2.575 1.00 0.00 H new ATOM 0 HA GLU A 20 0.948 12.424 0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.868 13.868 -0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.227 12.192 -0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.457 12.887 1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.076 14.565 1.151 1.00 0.00 H new ATOM 290 N ASP A 21 0.903 14.975 2.122 1.00 0.00 N ATOM 291 CA ASP A 21 1.477 16.286 2.386 1.00 0.00 C ATOM 292 C ASP A 21 2.957 16.328 2.017 1.00 0.00 C ATOM 293 O ASP A 21 3.527 17.402 1.829 1.00 0.00 O ATOM 294 CB ASP A 21 1.301 16.655 3.859 1.00 0.00 C ATOM 295 CG ASP A 21 1.685 18.093 4.146 1.00 0.00 C ATOM 296 OD1 ASP A 21 0.835 18.985 3.946 1.00 0.00 O ATOM 297 OD2 ASP A 21 2.836 18.327 4.572 1.00 0.00 O ATOM 0 H ASP A 21 0.544 14.498 2.949 1.00 0.00 H new ATOM 0 HA ASP A 21 0.949 17.011 1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.263 16.495 4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.910 15.990 4.472 1.00 0.00 H new ATOM 302 N VAL A 22 3.577 15.156 1.918 1.00 0.00 N ATOM 303 CA VAL A 22 4.983 15.075 1.576 1.00 0.00 C ATOM 304 C VAL A 22 5.167 14.818 0.082 1.00 0.00 C ATOM 305 O VAL A 22 4.249 15.028 -0.711 1.00 0.00 O ATOM 306 CB VAL A 22 5.701 13.984 2.408 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.614 12.618 1.742 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.150 14.374 2.673 1.00 0.00 C ATOM 0 H VAL A 22 3.125 14.255 2.070 1.00 0.00 H new ATOM 0 HA VAL A 22 5.437 16.036 1.817 1.00 0.00 H new ATOM 0 HB VAL A 22 5.187 13.909 3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.130 11.880 2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.568 12.332 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.082 12.662 0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.636 13.594 3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.674 14.495 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.179 15.313 3.225 1.00 0.00 H new ATOM 318 N SER A 23 6.354 14.364 -0.292 1.00 0.00 N ATOM 319 CA SER A 23 6.658 14.080 -1.688 1.00 0.00 C ATOM 320 C SER A 23 7.935 13.248 -1.808 1.00 0.00 C ATOM 321 O SER A 23 9.024 13.729 -1.493 1.00 0.00 O ATOM 322 CB SER A 23 6.808 15.382 -2.475 1.00 0.00 C ATOM 323 OG SER A 23 7.207 16.447 -1.629 1.00 0.00 O ATOM 0 H SER A 23 7.124 14.184 0.352 1.00 0.00 H new ATOM 0 HA SER A 23 5.830 13.506 -2.105 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.544 15.248 -3.268 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.862 15.631 -2.956 1.00 0.00 H new ATOM 0 HG SER A 23 7.298 17.268 -2.157 1.00 0.00 H new ATOM 329 N PRO A 24 7.826 11.984 -2.262 1.00 0.00 N ATOM 330 CA PRO A 24 6.550 11.368 -2.648 1.00 0.00 C ATOM 331 C PRO A 24 5.683 11.019 -1.442 1.00 0.00 C ATOM 332 O PRO A 24 6.194 10.738 -0.358 1.00 0.00 O ATOM 333 CB PRO A 24 6.982 10.097 -3.378 1.00 0.00 C ATOM 334 CG PRO A 24 8.298 9.748 -2.777 1.00 0.00 C ATOM 335 CD PRO A 24 8.959 11.055 -2.435 1.00 0.00 C ATOM 0 HA PRO A 24 5.939 12.040 -3.251 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.258 9.294 -3.239 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.069 10.266 -4.451 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.169 9.132 -1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.906 9.175 -3.477 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.555 10.977 -1.526 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.630 11.384 -3.229 1.00 0.00 H new ATOM 343 N ALA A 25 4.369 11.028 -1.643 1.00 0.00 N ATOM 344 CA ALA A 25 3.426 10.702 -0.577 1.00 0.00 C ATOM 345 C ALA A 25 3.751 9.341 0.033 1.00 0.00 C ATOM 346 O ALA A 25 4.576 8.598 -0.498 1.00 0.00 O ATOM 347 CB ALA A 25 2.004 10.712 -1.116 1.00 0.00 C ATOM 0 H ALA A 25 3.932 11.258 -2.535 1.00 0.00 H new ATOM 0 HA ALA A 25 3.513 11.457 0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.309 10.468 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.771 11.702 -1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.912 9.974 -1.913 1.00 0.00 H new ATOM 353 N GLU A 26 3.102 9.018 1.147 1.00 0.00 N ATOM 354 CA GLU A 26 3.336 7.741 1.816 1.00 0.00 C ATOM 355 C GLU A 26 2.147 7.342 2.685 1.00 0.00 C ATOM 356 O GLU A 26 1.476 8.193 3.269 1.00 0.00 O ATOM 357 CB GLU A 26 4.601 7.816 2.671 1.00 0.00 C ATOM 358 CG GLU A 26 5.864 8.093 1.870 1.00 0.00 C ATOM 359 CD GLU A 26 7.120 8.030 2.718 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.997 8.011 3.961 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.226 7.999 2.138 1.00 0.00 O ATOM 0 H GLU A 26 2.414 9.617 1.604 1.00 0.00 H new ATOM 0 HA GLU A 26 3.465 6.981 1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.477 8.598 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.721 6.876 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.941 7.369 1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.789 9.079 1.411 1.00 0.00 H new ATOM 368 N LEU A 27 1.900 6.038 2.771 1.00 0.00 N ATOM 369 CA LEU A 27 0.800 5.515 3.574 1.00 0.00 C ATOM 370 C LEU A 27 1.334 4.865 4.848 1.00 0.00 C ATOM 371 O LEU A 27 2.064 3.875 4.793 1.00 0.00 O ATOM 372 CB LEU A 27 -0.012 4.502 2.766 1.00 0.00 C ATOM 373 CG LEU A 27 -1.243 3.942 3.477 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.253 3.424 2.465 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.840 2.837 4.441 1.00 0.00 C ATOM 0 H LEU A 27 2.448 5.323 2.293 1.00 0.00 H new ATOM 0 HA LEU A 27 0.149 6.344 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.332 4.974 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.640 3.672 2.494 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.709 4.746 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.123 3.029 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.563 4.239 1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.798 2.633 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.728 2.448 4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.352 2.033 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.151 3.237 5.185 1.00 0.00 H new ATOM 387 N THR A 28 0.985 5.443 5.993 1.00 0.00 N ATOM 388 CA THR A 28 1.432 4.956 7.273 1.00 0.00 C ATOM 389 C THR A 28 0.512 3.869 7.822 1.00 0.00 C ATOM 390 O THR A 28 -0.698 3.892 7.600 1.00 0.00 O ATOM 391 CB THR A 28 1.478 6.134 8.233 1.00 0.00 C ATOM 392 OG1 THR A 28 1.376 7.362 7.530 1.00 0.00 O ATOM 393 CG2 THR A 28 2.742 6.186 9.043 1.00 0.00 C ATOM 0 H THR A 28 0.382 6.264 6.049 1.00 0.00 H new ATOM 0 HA THR A 28 2.419 4.508 7.158 1.00 0.00 H new ATOM 0 HB THR A 28 0.632 5.991 8.905 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.435 7.630 7.475 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.713 7.049 9.708 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.833 5.275 9.635 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.599 6.272 8.375 1.00 0.00 H new ATOM 401 N TRP A 29 1.100 2.929 8.551 1.00 0.00 N ATOM 402 CA TRP A 29 0.357 1.837 9.155 1.00 0.00 C ATOM 403 C TRP A 29 0.752 1.670 10.614 1.00 0.00 C ATOM 404 O TRP A 29 1.859 1.228 10.920 1.00 0.00 O ATOM 405 CB TRP A 29 0.619 0.528 8.414 1.00 0.00 C ATOM 406 CG TRP A 29 -0.124 -0.626 9.011 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.461 -0.682 9.254 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.422 -1.875 9.455 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.791 -1.897 9.804 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.653 -2.645 9.938 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.708 -2.424 9.487 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.483 -3.926 10.442 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.874 -3.703 9.991 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.780 -4.441 10.462 1.00 0.00 C ATOM 0 H TRP A 29 2.102 2.904 8.738 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.704 2.079 9.090 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.330 0.641 7.369 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.688 0.314 8.427 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.161 0.113 9.045 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.730 -2.193 10.069 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.556 -1.861 9.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.324 -4.497 10.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.862 -4.138 10.022 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.940 -5.437 10.848 1.00 0.00 H new ATOM 425 N ARG A 30 -0.159 2.008 11.512 1.00 0.00 N ATOM 426 CA ARG A 30 0.108 1.873 12.938 1.00 0.00 C ATOM 427 C ARG A 30 -0.609 0.646 13.488 1.00 0.00 C ATOM 428 O ARG A 30 -1.813 0.487 13.291 1.00 0.00 O ATOM 429 CB ARG A 30 -0.340 3.127 13.691 1.00 0.00 C ATOM 430 CG ARG A 30 0.561 4.329 13.461 1.00 0.00 C ATOM 431 CD ARG A 30 0.059 5.554 14.208 1.00 0.00 C ATOM 432 NE ARG A 30 0.804 6.758 13.851 1.00 0.00 N ATOM 433 CZ ARG A 30 0.455 7.986 14.229 1.00 0.00 C ATOM 434 NH1 ARG A 30 -0.624 8.174 14.978 1.00 0.00 N ATOM 435 NH2 ARG A 30 1.189 9.026 13.860 1.00 0.00 N ATOM 0 H ARG A 30 -1.083 2.375 11.284 1.00 0.00 H new ATOM 0 HA ARG A 30 1.182 1.751 13.080 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.355 3.381 13.386 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.373 2.907 14.758 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.574 4.093 13.787 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.612 4.548 12.394 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.998 5.704 13.989 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.141 5.382 15.281 1.00 0.00 H new ATOM 0 HE ARG A 30 1.641 6.652 13.278 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.190 7.376 15.267 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.888 9.117 15.265 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.021 8.885 13.287 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.922 9.967 14.149 1.00 0.00 H new ATOM 449 N SER A 31 0.128 -0.223 14.172 1.00 0.00 N ATOM 450 CA SER A 31 -0.455 -1.431 14.731 1.00 0.00 C ATOM 451 C SER A 31 -1.559 -1.089 15.718 1.00 0.00 C ATOM 452 O SER A 31 -1.639 0.035 16.216 1.00 0.00 O ATOM 453 CB SER A 31 0.622 -2.274 15.417 1.00 0.00 C ATOM 454 OG SER A 31 1.563 -1.455 16.090 1.00 0.00 O ATOM 0 H SER A 31 1.126 -0.111 14.351 1.00 0.00 H new ATOM 0 HA SER A 31 -0.888 -2.009 13.915 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.156 -2.956 16.128 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.134 -2.887 14.676 1.00 0.00 H new ATOM 0 HG SER A 31 2.116 -0.984 15.432 1.00 0.00 H new ATOM 460 N THR A 32 -2.402 -2.069 16.005 1.00 0.00 N ATOM 461 CA THR A 32 -3.495 -1.893 16.933 1.00 0.00 C ATOM 462 C THR A 32 -2.956 -1.540 18.311 1.00 0.00 C ATOM 463 O THR A 32 -3.586 -0.813 19.080 1.00 0.00 O ATOM 464 CB THR A 32 -4.293 -3.190 16.981 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.327 -3.187 16.012 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.919 -3.473 18.319 1.00 0.00 C ATOM 0 H THR A 32 -2.344 -3.003 15.600 1.00 0.00 H new ATOM 0 HA THR A 32 -4.141 -1.077 16.608 1.00 0.00 H new ATOM 0 HB THR A 32 -3.562 -3.972 16.776 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.953 -3.407 15.133 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.469 -4.413 18.272 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.139 -3.547 19.077 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.603 -2.665 18.579 1.00 0.00 H new ATOM 474 N ASP A 33 -1.782 -2.073 18.606 1.00 0.00 N ATOM 475 CA ASP A 33 -1.129 -1.839 19.886 1.00 0.00 C ATOM 476 C ASP A 33 -0.584 -0.421 19.971 1.00 0.00 C ATOM 477 O ASP A 33 -0.532 0.176 21.045 1.00 0.00 O ATOM 478 CB ASP A 33 -0.001 -2.849 20.101 1.00 0.00 C ATOM 479 CG ASP A 33 -0.510 -4.273 20.207 1.00 0.00 C ATOM 480 OD1 ASP A 33 -1.721 -4.453 20.457 1.00 0.00 O ATOM 481 OD2 ASP A 33 0.301 -5.208 20.042 1.00 0.00 O ATOM 0 H ASP A 33 -1.257 -2.675 17.972 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.874 -1.966 20.672 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.707 -2.780 19.275 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.544 -2.593 21.010 1.00 0.00 H new ATOM 486 N GLY A 34 -0.171 0.105 18.829 1.00 0.00 N ATOM 487 CA GLY A 34 0.376 1.446 18.780 1.00 0.00 C ATOM 488 C GLY A 34 1.849 1.473 19.129 1.00 0.00 C ATOM 489 O GLY A 34 2.374 2.494 19.574 1.00 0.00 O ATOM 0 H GLY A 34 -0.205 -0.375 17.930 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.233 1.859 17.782 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.172 2.086 19.472 1.00 0.00 H new ATOM 493 N ASP A 35 2.516 0.344 18.924 1.00 0.00 N ATOM 494 CA ASP A 35 3.938 0.230 19.217 1.00 0.00 C ATOM 495 C ASP A 35 4.752 0.068 17.937 1.00 0.00 C ATOM 496 O ASP A 35 5.948 0.356 17.910 1.00 0.00 O ATOM 497 CB ASP A 35 4.196 -0.952 20.154 1.00 0.00 C ATOM 498 CG ASP A 35 5.647 -1.047 20.582 1.00 0.00 C ATOM 499 OD1 ASP A 35 6.389 -0.062 20.387 1.00 0.00 O ATOM 500 OD2 ASP A 35 6.042 -2.106 21.113 1.00 0.00 O ATOM 0 H ASP A 35 2.093 -0.508 18.555 1.00 0.00 H new ATOM 0 HA ASP A 35 4.253 1.150 19.709 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.565 -0.855 21.038 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.906 -1.877 19.655 1.00 0.00 H new ATOM 505 N LYS A 36 4.098 -0.394 16.878 1.00 0.00 N ATOM 506 CA LYS A 36 4.760 -0.592 15.595 1.00 0.00 C ATOM 507 C LYS A 36 4.100 0.254 14.512 1.00 0.00 C ATOM 508 O LYS A 36 2.885 0.207 14.327 1.00 0.00 O ATOM 509 CB LYS A 36 4.726 -2.070 15.200 1.00 0.00 C ATOM 510 CG LYS A 36 6.053 -2.781 15.403 1.00 0.00 C ATOM 511 CD LYS A 36 6.026 -4.187 14.824 1.00 0.00 C ATOM 512 CE LYS A 36 5.121 -5.104 15.628 1.00 0.00 C ATOM 513 NZ LYS A 36 5.808 -5.648 16.832 1.00 0.00 N ATOM 0 H LYS A 36 3.108 -0.639 16.883 1.00 0.00 H new ATOM 0 HA LYS A 36 5.799 -0.278 15.696 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.958 -2.577 15.784 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.435 -2.152 14.153 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.850 -2.207 14.931 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.282 -2.829 16.468 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.682 -4.149 13.791 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.037 -4.594 14.808 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.230 -4.556 15.935 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.787 -5.928 14.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.156 -6.269 17.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.644 -6.192 16.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.104 -4.863 17.447 1.00 0.00 H new ATOM 527 N VAL A 37 4.911 1.028 13.800 1.00 0.00 N ATOM 528 CA VAL A 37 4.405 1.886 12.737 1.00 0.00 C ATOM 529 C VAL A 37 5.152 1.644 11.432 1.00 0.00 C ATOM 530 O VAL A 37 6.370 1.814 11.360 1.00 0.00 O ATOM 531 CB VAL A 37 4.522 3.375 13.115 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.858 4.251 12.061 1.00 0.00 C ATOM 533 CG2 VAL A 37 3.912 3.625 14.486 1.00 0.00 C ATOM 0 H VAL A 37 5.920 1.079 13.940 1.00 0.00 H new ATOM 0 HA VAL A 37 3.353 1.634 12.601 1.00 0.00 H new ATOM 0 HB VAL A 37 5.579 3.638 13.157 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.952 5.299 12.347 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.343 4.093 11.098 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.803 3.989 11.983 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.003 4.682 14.738 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.859 3.345 14.472 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.437 3.028 15.232 1.00 0.00 H new ATOM 543 N HIS A 38 4.416 1.250 10.399 1.00 0.00 N ATOM 544 CA HIS A 38 5.010 0.988 9.092 1.00 0.00 C ATOM 545 C HIS A 38 4.619 2.059 8.090 1.00 0.00 C ATOM 546 O HIS A 38 3.494 2.549 8.089 1.00 0.00 O ATOM 547 CB HIS A 38 4.594 -0.377 8.559 1.00 0.00 C ATOM 548 CG HIS A 38 5.236 -0.733 7.253 1.00 0.00 C ATOM 549 ND1 HIS A 38 6.103 -1.796 7.103 1.00 0.00 N ATOM 550 CD2 HIS A 38 5.127 -0.164 6.029 1.00 0.00 C ATOM 551 CE1 HIS A 38 6.501 -1.863 5.845 1.00 0.00 C ATOM 552 NE2 HIS A 38 5.922 -0.885 5.172 1.00 0.00 N ATOM 0 H HIS A 38 3.407 1.105 10.441 1.00 0.00 H new ATOM 0 HA HIS A 38 6.092 1.001 9.224 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.846 -1.138 9.297 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.511 -0.396 8.439 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.527 0.697 5.774 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.184 -2.593 5.436 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.045 -0.696 4.177 1.00 0.00 H new ATOM 561 N THR A 39 5.562 2.414 7.238 1.00 0.00 N ATOM 562 CA THR A 39 5.328 3.431 6.218 1.00 0.00 C ATOM 563 C THR A 39 5.406 2.822 4.821 1.00 0.00 C ATOM 564 O THR A 39 6.305 2.037 4.523 1.00 0.00 O ATOM 565 CB THR A 39 6.344 4.564 6.352 1.00 0.00 C ATOM 566 OG1 THR A 39 6.492 4.947 7.709 1.00 0.00 O ATOM 567 CG2 THR A 39 5.969 5.801 5.566 1.00 0.00 C ATOM 0 H THR A 39 6.501 2.015 7.228 1.00 0.00 H new ATOM 0 HA THR A 39 4.327 3.836 6.365 1.00 0.00 H new ATOM 0 HB THR A 39 7.275 4.165 5.949 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.148 5.672 7.775 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.733 6.566 5.705 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.895 5.551 4.508 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.009 6.179 5.918 1.00 0.00 H new ATOM 575 N VAL A 40 4.451 3.188 3.970 1.00 0.00 N ATOM 576 CA VAL A 40 4.406 2.676 2.606 1.00 0.00 C ATOM 577 C VAL A 40 4.551 3.802 1.588 1.00 0.00 C ATOM 578 O VAL A 40 3.990 4.884 1.760 1.00 0.00 O ATOM 579 CB VAL A 40 3.088 1.925 2.336 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.119 1.250 0.974 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.817 0.910 3.434 1.00 0.00 C ATOM 0 H VAL A 40 3.699 3.837 4.202 1.00 0.00 H new ATOM 0 HA VAL A 40 5.243 1.985 2.499 1.00 0.00 H new ATOM 0 HB VAL A 40 2.276 2.652 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.178 0.726 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.259 2.003 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.942 0.536 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.882 0.390 3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.633 0.188 3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.741 1.423 4.393 1.00 0.00 H new ATOM 591 N VAL A 41 5.303 3.537 0.524 1.00 0.00 N ATOM 592 CA VAL A 41 5.514 4.527 -0.525 1.00 0.00 C ATOM 593 C VAL A 41 4.521 4.329 -1.664 1.00 0.00 C ATOM 594 O VAL A 41 4.444 3.251 -2.256 1.00 0.00 O ATOM 595 CB VAL A 41 6.947 4.455 -1.086 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.206 5.609 -2.042 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.962 4.451 0.046 1.00 0.00 C ATOM 0 H VAL A 41 5.775 2.647 0.366 1.00 0.00 H new ATOM 0 HA VAL A 41 5.361 5.508 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 41 7.054 3.524 -1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.223 5.541 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.500 5.560 -2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.081 6.554 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.969 4.400 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.857 5.364 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.789 3.586 0.687 1.00 0.00 H new ATOM 607 N LEU A 42 3.755 5.373 -1.963 1.00 0.00 N ATOM 608 CA LEU A 42 2.758 5.312 -3.025 1.00 0.00 C ATOM 609 C LEU A 42 3.357 5.687 -4.381 1.00 0.00 C ATOM 610 O LEU A 42 2.731 5.483 -5.420 1.00 0.00 O ATOM 611 CB LEU A 42 1.584 6.238 -2.699 1.00 0.00 C ATOM 612 CG LEU A 42 1.051 6.129 -1.268 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.198 6.979 -1.098 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.762 4.677 -0.913 1.00 0.00 C ATOM 0 H LEU A 42 3.806 6.272 -1.484 1.00 0.00 H new ATOM 0 HA LEU A 42 2.402 4.284 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.893 7.268 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.769 6.024 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 42 1.816 6.502 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.563 6.889 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.040 8.022 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.968 6.636 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.384 4.620 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.016 4.276 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.679 4.093 -0.993 1.00 0.00 H new ATOM 626 N SER A 43 4.572 6.232 -4.369 1.00 0.00 N ATOM 627 CA SER A 43 5.241 6.624 -5.602 1.00 0.00 C ATOM 628 C SER A 43 5.880 5.417 -6.277 1.00 0.00 C ATOM 629 O SER A 43 6.083 5.408 -7.492 1.00 0.00 O ATOM 630 CB SER A 43 6.304 7.686 -5.317 1.00 0.00 C ATOM 631 OG SER A 43 7.193 7.259 -4.300 1.00 0.00 O ATOM 0 H SER A 43 5.110 6.411 -3.521 1.00 0.00 H new ATOM 0 HA SER A 43 4.493 7.043 -6.275 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.864 7.898 -6.228 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.822 8.616 -5.016 1.00 0.00 H new ATOM 0 HG SER A 43 8.118 7.380 -4.602 1.00 0.00 H new ATOM 637 N THR A 44 6.192 4.396 -5.485 1.00 0.00 N ATOM 638 CA THR A 44 6.804 3.185 -6.011 1.00 0.00 C ATOM 639 C THR A 44 5.752 2.109 -6.271 1.00 0.00 C ATOM 640 O THR A 44 6.072 0.923 -6.347 1.00 0.00 O ATOM 641 CB THR A 44 7.863 2.658 -5.042 1.00 0.00 C ATOM 642 OG1 THR A 44 8.566 1.569 -5.611 1.00 0.00 O ATOM 643 CG2 THR A 44 7.288 2.194 -3.721 1.00 0.00 C ATOM 0 H THR A 44 6.031 4.385 -4.478 1.00 0.00 H new ATOM 0 HA THR A 44 7.283 3.434 -6.958 1.00 0.00 H new ATOM 0 HB THR A 44 8.527 3.502 -4.854 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.959 0.807 -5.715 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.093 1.833 -3.081 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.781 3.026 -3.232 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.575 1.389 -3.897 1.00 0.00 H new ATOM 651 N ILE A 45 4.497 2.529 -6.409 1.00 0.00 N ATOM 652 CA ILE A 45 3.402 1.599 -6.660 1.00 0.00 C ATOM 653 C ILE A 45 2.973 1.642 -8.121 1.00 0.00 C ATOM 654 O ILE A 45 2.256 2.551 -8.543 1.00 0.00 O ATOM 655 CB ILE A 45 2.186 1.910 -5.769 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.616 2.037 -4.305 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.125 0.830 -5.922 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.340 0.817 -3.779 1.00 0.00 C ATOM 0 H ILE A 45 4.214 3.507 -6.351 1.00 0.00 H new ATOM 0 HA ILE A 45 3.771 0.602 -6.421 1.00 0.00 H new ATOM 0 HB ILE A 45 1.758 2.861 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.264 2.907 -4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.734 2.219 -3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.272 1.065 -5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.800 0.784 -6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.542 -0.134 -5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.614 0.978 -2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.687 -0.053 -3.852 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.240 0.646 -4.369 1.00 0.00 H new ATOM 670 N ASP A 46 3.414 0.653 -8.889 1.00 0.00 N ATOM 671 CA ASP A 46 3.073 0.573 -10.303 1.00 0.00 C ATOM 672 C ASP A 46 1.562 0.490 -10.494 1.00 0.00 C ATOM 673 O ASP A 46 1.035 0.888 -11.533 1.00 0.00 O ATOM 674 CB ASP A 46 3.748 -0.640 -10.945 1.00 0.00 C ATOM 675 CG ASP A 46 3.581 -0.665 -12.452 1.00 0.00 C ATOM 676 OD1 ASP A 46 4.372 0.005 -13.148 1.00 0.00 O ATOM 677 OD2 ASP A 46 2.658 -1.355 -12.935 1.00 0.00 O ATOM 0 H ASP A 46 4.009 -0.105 -8.555 1.00 0.00 H new ATOM 0 HA ASP A 46 3.433 1.479 -10.790 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.810 -0.633 -10.700 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.329 -1.552 -10.521 1.00 0.00 H new ATOM 682 N LYS A 47 0.869 -0.029 -9.485 1.00 0.00 N ATOM 683 CA LYS A 47 -0.582 -0.163 -9.546 1.00 0.00 C ATOM 684 C LYS A 47 -1.145 -0.637 -8.210 1.00 0.00 C ATOM 685 O LYS A 47 -0.404 -1.100 -7.342 1.00 0.00 O ATOM 686 CB LYS A 47 -0.977 -1.143 -10.655 1.00 0.00 C ATOM 687 CG LYS A 47 -1.536 -0.468 -11.896 1.00 0.00 C ATOM 688 CD LYS A 47 -2.353 -1.435 -12.737 1.00 0.00 C ATOM 689 CE LYS A 47 -1.511 -2.610 -13.210 1.00 0.00 C ATOM 690 NZ LYS A 47 -2.091 -3.257 -14.418 1.00 0.00 N ATOM 0 H LYS A 47 1.288 -0.363 -8.617 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.002 0.818 -9.767 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.104 -1.732 -10.935 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.720 -1.839 -10.265 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.159 0.376 -11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.717 -0.067 -12.493 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.197 -1.802 -12.154 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.765 -0.911 -13.599 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.501 -2.267 -13.432 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.429 -3.344 -12.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.488 -4.053 -14.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.046 -3.607 -14.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.145 -2.563 -15.191 1.00 0.00 H new ATOM 704 N LEU A 48 -2.459 -0.520 -8.053 1.00 0.00 N ATOM 705 CA LEU A 48 -3.124 -0.939 -6.825 1.00 0.00 C ATOM 706 C LEU A 48 -4.233 -1.943 -7.127 1.00 0.00 C ATOM 707 O LEU A 48 -5.139 -1.666 -7.912 1.00 0.00 O ATOM 708 CB LEU A 48 -3.704 0.273 -6.096 1.00 0.00 C ATOM 709 CG LEU A 48 -4.876 0.957 -6.805 1.00 0.00 C ATOM 710 CD1 LEU A 48 -6.200 0.489 -6.220 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.752 2.469 -6.705 1.00 0.00 C ATOM 0 H LEU A 48 -3.085 -0.138 -8.762 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.385 -1.419 -6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.032 -0.041 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.910 1.005 -5.951 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.849 0.680 -7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.022 0.986 -6.736 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.292 -0.590 -6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.236 0.735 -5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.594 2.938 -7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.752 2.765 -5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.821 2.789 -7.172 1.00 0.00 H new ATOM 723 N GLN A 49 -4.154 -3.114 -6.500 1.00 0.00 N ATOM 724 CA GLN A 49 -5.152 -4.158 -6.705 1.00 0.00 C ATOM 725 C GLN A 49 -6.034 -4.320 -5.471 1.00 0.00 C ATOM 726 O GLN A 49 -5.581 -4.128 -4.343 1.00 0.00 O ATOM 727 CB GLN A 49 -4.470 -5.486 -7.036 1.00 0.00 C ATOM 728 CG GLN A 49 -3.643 -5.446 -8.312 1.00 0.00 C ATOM 729 CD GLN A 49 -3.127 -6.812 -8.715 1.00 0.00 C ATOM 730 OE1 GLN A 49 -3.431 -7.310 -9.798 1.00 0.00 O ATOM 731 NE2 GLN A 49 -2.338 -7.428 -7.841 1.00 0.00 N ATOM 0 H GLN A 49 -3.411 -3.363 -5.847 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.783 -3.862 -7.543 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.825 -5.771 -6.204 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.230 -6.261 -7.130 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.249 -5.038 -9.121 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.800 -4.770 -8.173 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.111 -6.979 -6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.959 -8.350 -8.057 1.00 0.00 H new ATOM 740 N ALA A 50 -7.294 -4.674 -5.696 1.00 0.00 N ATOM 741 CA ALA A 50 -8.242 -4.863 -4.604 1.00 0.00 C ATOM 742 C ALA A 50 -9.162 -6.048 -4.876 1.00 0.00 C ATOM 743 O ALA A 50 -9.439 -6.380 -6.029 1.00 0.00 O ATOM 744 CB ALA A 50 -9.059 -3.597 -4.388 1.00 0.00 C ATOM 0 H ALA A 50 -7.683 -4.836 -6.625 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.676 -5.076 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.762 -3.753 -3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.392 -2.771 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.609 -3.359 -5.299 1.00 0.00 H new ATOM 750 N THR A 51 -9.632 -6.684 -3.808 1.00 0.00 N ATOM 751 CA THR A 51 -10.521 -7.834 -3.934 1.00 0.00 C ATOM 752 C THR A 51 -11.909 -7.401 -4.403 1.00 0.00 C ATOM 753 O THR A 51 -12.395 -6.335 -4.025 1.00 0.00 O ATOM 754 CB THR A 51 -10.628 -8.569 -2.597 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.725 -7.650 -1.524 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.451 -9.479 -2.318 1.00 0.00 C ATOM 0 H THR A 51 -9.413 -6.423 -2.847 1.00 0.00 H new ATOM 0 HA THR A 51 -10.100 -8.508 -4.680 1.00 0.00 H new ATOM 0 HB THR A 51 -11.528 -9.179 -2.675 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.666 -7.419 -1.375 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.591 -9.969 -1.355 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.380 -10.233 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.534 -8.891 -2.296 1.00 0.00 H new ATOM 764 N PRO A 52 -12.567 -8.225 -5.237 1.00 0.00 N ATOM 765 CA PRO A 52 -13.905 -7.921 -5.755 1.00 0.00 C ATOM 766 C PRO A 52 -14.993 -8.110 -4.704 1.00 0.00 C ATOM 767 O PRO A 52 -14.766 -8.734 -3.667 1.00 0.00 O ATOM 768 CB PRO A 52 -14.076 -8.928 -6.891 1.00 0.00 C ATOM 769 CG PRO A 52 -13.233 -10.090 -6.493 1.00 0.00 C ATOM 770 CD PRO A 52 -12.061 -9.519 -5.739 1.00 0.00 C ATOM 0 HA PRO A 52 -13.996 -6.881 -6.069 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -15.120 -9.218 -7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.751 -8.510 -7.844 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.796 -10.784 -5.869 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.899 -10.647 -7.368 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.753 -10.173 -4.923 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.194 -9.386 -6.386 1.00 0.00 H new ATOM 778 N ALA A 53 -16.175 -7.571 -4.979 1.00 0.00 N ATOM 779 CA ALA A 53 -17.302 -7.681 -4.058 1.00 0.00 C ATOM 780 C ALA A 53 -17.818 -9.116 -3.975 1.00 0.00 C ATOM 781 O ALA A 53 -18.602 -9.449 -3.087 1.00 0.00 O ATOM 782 CB ALA A 53 -18.420 -6.740 -4.481 1.00 0.00 C ATOM 0 H ALA A 53 -16.379 -7.053 -5.833 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.953 -7.396 -3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.255 -6.831 -3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -18.053 -5.714 -4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.754 -7.000 -5.486 1.00 0.00 H new ATOM 788 N SER A 54 -17.377 -9.962 -4.902 1.00 0.00 N ATOM 789 CA SER A 54 -17.801 -11.358 -4.924 1.00 0.00 C ATOM 790 C SER A 54 -16.868 -12.236 -4.089 1.00 0.00 C ATOM 791 O SER A 54 -17.076 -13.444 -3.978 1.00 0.00 O ATOM 792 CB SER A 54 -17.846 -11.873 -6.364 1.00 0.00 C ATOM 793 OG SER A 54 -18.584 -13.079 -6.452 1.00 0.00 O ATOM 0 H SER A 54 -16.728 -9.706 -5.646 1.00 0.00 H new ATOM 0 HA SER A 54 -18.799 -11.411 -4.489 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.297 -11.119 -7.009 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.831 -12.037 -6.727 1.00 0.00 H new ATOM 0 HG SER A 54 -18.290 -13.695 -5.749 1.00 0.00 H new ATOM 799 N SER A 55 -15.844 -11.623 -3.500 1.00 0.00 N ATOM 800 CA SER A 55 -14.889 -12.351 -2.675 1.00 0.00 C ATOM 801 C SER A 55 -15.100 -12.030 -1.203 1.00 0.00 C ATOM 802 O SER A 55 -14.897 -10.897 -0.768 1.00 0.00 O ATOM 803 CB SER A 55 -13.458 -12.002 -3.086 1.00 0.00 C ATOM 804 OG SER A 55 -12.621 -13.145 -3.037 1.00 0.00 O ATOM 0 H SER A 55 -15.656 -10.624 -3.580 1.00 0.00 H new ATOM 0 HA SER A 55 -15.050 -13.418 -2.826 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.456 -11.589 -4.095 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.064 -11.230 -2.425 1.00 0.00 H new ATOM 0 HG SER A 55 -11.712 -12.897 -3.306 1.00 0.00 H new ATOM 810 N GLU A 56 -15.500 -13.039 -0.438 1.00 0.00 N ATOM 811 CA GLU A 56 -15.728 -12.863 0.989 1.00 0.00 C ATOM 812 C GLU A 56 -14.465 -12.359 1.680 1.00 0.00 C ATOM 813 O GLU A 56 -14.523 -11.818 2.784 1.00 0.00 O ATOM 814 CB GLU A 56 -16.179 -14.181 1.621 1.00 0.00 C ATOM 815 CG GLU A 56 -17.502 -14.696 1.080 1.00 0.00 C ATOM 816 CD GLU A 56 -17.967 -15.958 1.778 1.00 0.00 C ATOM 817 OE1 GLU A 56 -17.409 -17.037 1.488 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.889 -15.867 2.616 1.00 0.00 O ATOM 0 H GLU A 56 -15.672 -13.984 -0.781 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.514 -12.120 1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.410 -14.935 1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.265 -14.046 2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.262 -13.922 1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.402 -14.892 0.012 1.00 0.00 H new ATOM 825 N LYS A 57 -13.324 -12.536 1.018 1.00 0.00 N ATOM 826 CA LYS A 57 -12.048 -12.095 1.566 1.00 0.00 C ATOM 827 C LYS A 57 -11.673 -10.718 1.027 1.00 0.00 C ATOM 828 O LYS A 57 -11.250 -10.583 -0.121 1.00 0.00 O ATOM 829 CB LYS A 57 -10.947 -13.104 1.229 1.00 0.00 C ATOM 830 CG LYS A 57 -11.148 -14.462 1.883 1.00 0.00 C ATOM 831 CD LYS A 57 -10.020 -15.420 1.533 1.00 0.00 C ATOM 832 CE LYS A 57 -8.725 -15.031 2.228 1.00 0.00 C ATOM 833 NZ LYS A 57 -7.536 -15.275 1.364 1.00 0.00 N ATOM 0 H LYS A 57 -13.259 -12.981 0.103 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.150 -12.028 2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.902 -13.233 0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.985 -12.698 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.202 -14.342 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.100 -14.885 1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.299 -16.433 1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.868 -15.426 0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.763 -13.977 2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.624 -15.599 3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.673 -14.997 1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.485 -16.285 1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.619 -14.713 0.493 1.00 0.00 H new ATOM 847 N MET A 58 -11.832 -9.698 1.864 1.00 0.00 N ATOM 848 CA MET A 58 -11.512 -8.330 1.472 1.00 0.00 C ATOM 849 C MET A 58 -10.044 -8.018 1.748 1.00 0.00 C ATOM 850 O MET A 58 -9.628 -7.914 2.902 1.00 0.00 O ATOM 851 CB MET A 58 -12.407 -7.336 2.217 1.00 0.00 C ATOM 852 CG MET A 58 -12.528 -7.620 3.706 1.00 0.00 C ATOM 853 SD MET A 58 -14.040 -8.513 4.119 1.00 0.00 S ATOM 854 CE MET A 58 -14.758 -7.415 5.339 1.00 0.00 C ATOM 0 H MET A 58 -12.180 -9.793 2.818 1.00 0.00 H new ATOM 0 HA MET A 58 -11.693 -8.234 0.401 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.011 -6.330 2.079 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.402 -7.351 1.771 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.666 -8.201 4.033 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.504 -6.679 4.255 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.844 -7.428 5.246 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.476 -7.747 6.338 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.392 -6.401 5.176 1.00 0.00 H new ATOM 864 N MET A 59 -9.265 -7.872 0.681 1.00 0.00 N ATOM 865 CA MET A 59 -7.843 -7.574 0.809 1.00 0.00 C ATOM 866 C MET A 59 -7.373 -6.656 -0.315 1.00 0.00 C ATOM 867 O MET A 59 -7.839 -6.758 -1.450 1.00 0.00 O ATOM 868 CB MET A 59 -7.031 -8.871 0.794 1.00 0.00 C ATOM 869 CG MET A 59 -7.396 -9.831 1.915 1.00 0.00 C ATOM 870 SD MET A 59 -6.305 -11.265 1.983 1.00 0.00 S ATOM 871 CE MET A 59 -4.786 -10.508 2.556 1.00 0.00 C ATOM 0 H MET A 59 -9.594 -7.955 -0.281 1.00 0.00 H new ATOM 0 HA MET A 59 -7.688 -7.062 1.759 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.178 -9.371 -0.163 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.971 -8.627 0.867 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.356 -9.303 2.868 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.424 -10.167 1.780 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.348 -11.121 3.344 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.084 -10.428 1.726 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.000 -9.513 2.947 1.00 0.00 H new ATOM 881 N LEU A 60 -6.444 -5.759 0.008 1.00 0.00 N ATOM 882 CA LEU A 60 -5.909 -4.826 -0.976 1.00 0.00 C ATOM 883 C LEU A 60 -4.425 -5.086 -1.213 1.00 0.00 C ATOM 884 O LEU A 60 -3.630 -5.106 -0.273 1.00 0.00 O ATOM 885 CB LEU A 60 -6.117 -3.383 -0.509 1.00 0.00 C ATOM 886 CG LEU A 60 -5.729 -2.310 -1.527 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.727 -2.276 -2.673 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.638 -0.948 -0.855 1.00 0.00 C ATOM 0 H LEU A 60 -6.048 -5.660 0.943 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.444 -4.976 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.166 -3.250 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.538 -3.225 0.401 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.749 -2.559 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.435 -1.506 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.743 -3.246 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.720 -2.051 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.361 -0.196 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.604 -0.691 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.884 -0.980 -0.069 1.00 0.00 H new ATOM 900 N ARG A 61 -4.058 -5.289 -2.475 1.00 0.00 N ATOM 901 CA ARG A 61 -2.668 -5.554 -2.833 1.00 0.00 C ATOM 902 C ARG A 61 -2.069 -4.384 -3.605 1.00 0.00 C ATOM 903 O ARG A 61 -2.740 -3.756 -4.424 1.00 0.00 O ATOM 904 CB ARG A 61 -2.570 -6.833 -3.666 1.00 0.00 C ATOM 905 CG ARG A 61 -1.141 -7.265 -3.949 1.00 0.00 C ATOM 906 CD ARG A 61 -1.096 -8.547 -4.766 1.00 0.00 C ATOM 907 NE ARG A 61 -1.674 -9.679 -4.045 1.00 0.00 N ATOM 908 CZ ARG A 61 -2.969 -9.993 -4.065 1.00 0.00 C ATOM 909 NH1 ARG A 61 -3.829 -9.267 -4.768 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.405 -11.040 -3.377 1.00 0.00 N ATOM 0 H ARG A 61 -4.702 -5.275 -3.266 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.101 -5.683 -1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.088 -7.638 -3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.089 -6.681 -4.612 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.620 -6.472 -4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.612 -7.414 -3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.636 -8.399 -5.701 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.062 -8.774 -5.027 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.048 -10.265 -3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.501 -8.461 -5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.818 -9.515 -4.777 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.750 -11.603 -2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.396 -11.283 -3.391 1.00 0.00 H new ATOM 924 N LEU A 62 -0.799 -4.098 -3.339 1.00 0.00 N ATOM 925 CA LEU A 62 -0.102 -3.005 -4.009 1.00 0.00 C ATOM 926 C LEU A 62 1.142 -3.515 -4.728 1.00 0.00 C ATOM 927 O LEU A 62 2.006 -4.149 -4.121 1.00 0.00 O ATOM 928 CB LEU A 62 0.281 -1.921 -2.996 1.00 0.00 C ATOM 929 CG LEU A 62 -0.420 -0.576 -3.192 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.886 -0.677 -2.799 1.00 0.00 C ATOM 931 CD2 LEU A 62 0.276 0.509 -2.387 1.00 0.00 C ATOM 0 H LEU A 62 -0.230 -4.608 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.775 -2.575 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.059 -2.287 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.358 -1.763 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.365 -0.309 -4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.369 0.289 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.378 -1.426 -3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.963 -0.966 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.236 1.459 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.253 0.249 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.311 0.598 -2.716 1.00 0.00 H new ATOM 943 N ILE A 63 1.225 -3.238 -6.024 1.00 0.00 N ATOM 944 CA ILE A 63 2.365 -3.670 -6.826 1.00 0.00 C ATOM 945 C ILE A 63 3.470 -2.619 -6.821 1.00 0.00 C ATOM 946 O ILE A 63 3.237 -1.458 -7.160 1.00 0.00 O ATOM 947 CB ILE A 63 1.955 -3.953 -8.285 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.663 -4.773 -8.329 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.074 -4.677 -9.017 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.749 -6.079 -7.573 1.00 0.00 C ATOM 0 H ILE A 63 0.518 -2.717 -6.542 1.00 0.00 H new ATOM 0 HA ILE A 63 2.735 -4.590 -6.374 1.00 0.00 H new ATOM 0 HB ILE A 63 1.774 -3.002 -8.786 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.150 -4.176 -7.916 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.410 -4.981 -9.369 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.770 -4.870 -10.046 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.971 -4.058 -9.014 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.284 -5.623 -8.517 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.202 -6.606 -7.648 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.540 -6.695 -8.000 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.971 -5.879 -6.525 1.00 0.00 H new ATOM 962 N GLY A 64 4.673 -3.034 -6.438 1.00 0.00 N ATOM 963 CA GLY A 64 5.793 -2.114 -6.400 1.00 0.00 C ATOM 964 C GLY A 64 6.376 -1.856 -7.776 1.00 0.00 C ATOM 965 O GLY A 64 6.076 -2.575 -8.729 1.00 0.00 O ATOM 0 H GLY A 64 4.891 -3.989 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.469 -1.170 -5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.569 -2.517 -5.749 1.00 0.00 H new ATOM 969 N LYS A 65 7.208 -0.825 -7.881 1.00 0.00 N ATOM 970 CA LYS A 65 7.831 -0.474 -9.152 1.00 0.00 C ATOM 971 C LYS A 65 8.801 -1.558 -9.606 1.00 0.00 C ATOM 972 O LYS A 65 9.245 -2.383 -8.807 1.00 0.00 O ATOM 973 CB LYS A 65 8.561 0.865 -9.032 1.00 0.00 C ATOM 974 CG LYS A 65 7.760 2.040 -9.565 1.00 0.00 C ATOM 975 CD LYS A 65 8.546 3.339 -9.474 1.00 0.00 C ATOM 976 CE LYS A 65 7.748 4.511 -10.023 1.00 0.00 C ATOM 977 NZ LYS A 65 8.514 5.786 -9.950 1.00 0.00 N ATOM 0 H LYS A 65 7.466 -0.219 -7.102 1.00 0.00 H new ATOM 0 HA LYS A 65 7.043 -0.386 -9.900 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.803 1.045 -7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.506 0.805 -9.572 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.484 1.853 -10.603 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.832 2.135 -9.001 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.812 3.533 -8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.479 3.241 -10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.474 4.311 -11.059 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.819 4.613 -9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.936 6.561 -10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.754 5.991 -8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.388 5.698 -10.506 1.00 0.00 H new ATOM 991 N VAL A 66 9.126 -1.549 -10.894 1.00 0.00 N ATOM 992 CA VAL A 66 10.042 -2.529 -11.460 1.00 0.00 C ATOM 993 C VAL A 66 11.448 -1.954 -11.595 1.00 0.00 C ATOM 994 O VAL A 66 11.627 -0.830 -12.067 1.00 0.00 O ATOM 995 CB VAL A 66 9.557 -3.015 -12.840 1.00 0.00 C ATOM 996 CG1 VAL A 66 9.543 -1.868 -13.841 1.00 0.00 C ATOM 997 CG2 VAL A 66 10.425 -4.160 -13.340 1.00 0.00 C ATOM 0 H VAL A 66 8.767 -0.871 -11.566 1.00 0.00 H new ATOM 0 HA VAL A 66 10.067 -3.376 -10.774 1.00 0.00 H new ATOM 0 HB VAL A 66 8.537 -3.383 -12.734 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.198 -2.233 -14.808 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.872 -1.085 -13.488 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.550 -1.463 -13.945 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.067 -4.489 -14.315 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.458 -3.822 -13.428 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.373 -4.990 -12.636 1.00 0.00 H new ATOM 1007 N ASP A 67 12.443 -2.729 -11.178 1.00 0.00 N ATOM 1008 CA ASP A 67 13.834 -2.295 -11.253 1.00 0.00 C ATOM 1009 C ASP A 67 14.721 -3.402 -11.812 1.00 0.00 C ATOM 1010 O ASP A 67 15.847 -3.601 -11.353 1.00 0.00 O ATOM 1011 CB ASP A 67 14.332 -1.872 -9.870 1.00 0.00 C ATOM 1012 CG ASP A 67 13.592 -0.662 -9.334 1.00 0.00 C ATOM 1013 OD1 ASP A 67 12.963 0.056 -10.139 1.00 0.00 O ATOM 1014 OD2 ASP A 67 13.641 -0.435 -8.106 1.00 0.00 O ATOM 0 H ASP A 67 12.313 -3.661 -10.784 1.00 0.00 H new ATOM 0 HA ASP A 67 13.887 -1.440 -11.927 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.215 -2.703 -9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.398 -1.649 -9.923 1.00 0.00 H new ATOM 1019 N GLU A 68 14.208 -4.121 -12.805 1.00 0.00 N ATOM 1020 CA GLU A 68 14.955 -5.208 -13.427 1.00 0.00 C ATOM 1021 C GLU A 68 14.983 -5.052 -14.943 1.00 0.00 C ATOM 1022 O GLU A 68 14.904 -6.034 -15.680 1.00 0.00 O ATOM 1023 CB GLU A 68 14.342 -6.559 -13.051 1.00 0.00 C ATOM 1024 CG GLU A 68 14.342 -6.834 -11.556 1.00 0.00 C ATOM 1025 CD GLU A 68 13.812 -8.211 -11.217 1.00 0.00 C ATOM 1026 OE1 GLU A 68 12.576 -8.396 -11.247 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.630 -9.107 -10.921 1.00 0.00 O ATOM 0 H GLU A 68 13.278 -3.970 -13.196 1.00 0.00 H new ATOM 0 HA GLU A 68 15.980 -5.168 -13.058 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.317 -6.598 -13.419 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.893 -7.352 -13.557 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.357 -6.735 -11.172 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.736 -6.081 -11.052 1.00 0.00 H new ATOM 1034 N SER A 69 15.098 -3.810 -15.400 1.00 0.00 N ATOM 1035 CA SER A 69 15.137 -3.523 -16.830 1.00 0.00 C ATOM 1036 C SER A 69 16.520 -3.040 -17.252 1.00 0.00 C ATOM 1037 O SER A 69 16.923 -3.205 -18.404 1.00 0.00 O ATOM 1038 CB SER A 69 14.083 -2.475 -17.191 1.00 0.00 C ATOM 1039 OG SER A 69 12.880 -3.089 -17.621 1.00 0.00 O ATOM 0 H SER A 69 15.166 -2.986 -14.802 1.00 0.00 H new ATOM 0 HA SER A 69 14.918 -4.446 -17.366 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.883 -1.843 -16.326 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.466 -1.826 -17.979 1.00 0.00 H new ATOM 0 HG SER A 69 12.222 -2.398 -17.844 1.00 0.00 H new ATOM 1045 N LYS A 70 17.240 -2.441 -16.314 1.00 0.00 N ATOM 1046 CA LYS A 70 18.580 -1.929 -16.584 1.00 0.00 C ATOM 1047 C LYS A 70 19.609 -2.524 -15.624 1.00 0.00 C ATOM 1048 O LYS A 70 20.797 -2.209 -15.706 1.00 0.00 O ATOM 1049 CB LYS A 70 18.593 -0.404 -16.477 1.00 0.00 C ATOM 1050 CG LYS A 70 17.715 0.287 -17.508 1.00 0.00 C ATOM 1051 CD LYS A 70 17.880 1.797 -17.458 1.00 0.00 C ATOM 1052 CE LYS A 70 16.916 2.494 -18.406 1.00 0.00 C ATOM 1053 NZ LYS A 70 15.582 2.709 -17.783 1.00 0.00 N ATOM 0 H LYS A 70 16.919 -2.296 -15.357 1.00 0.00 H new ATOM 0 HA LYS A 70 18.851 -2.224 -17.598 1.00 0.00 H new ATOM 0 HB2 LYS A 70 18.263 -0.116 -15.479 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.618 -0.049 -16.589 1.00 0.00 H new ATOM 0 HG2 LYS A 70 17.968 -0.075 -18.504 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.671 0.028 -17.331 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.710 2.149 -16.441 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.905 2.061 -17.720 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.334 3.454 -18.708 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.802 1.897 -19.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.955 3.186 -18.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.171 1.791 -17.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.687 3.300 -16.934 1.00 0.00 H new ATOM 1067 N LYS A 71 19.154 -3.384 -14.716 1.00 0.00 N ATOM 1068 CA LYS A 71 20.046 -4.014 -13.748 1.00 0.00 C ATOM 1069 C LYS A 71 20.707 -2.977 -12.863 1.00 0.00 C ATOM 1070 O LYS A 71 21.812 -2.509 -13.140 1.00 0.00 O ATOM 1071 CB LYS A 71 21.106 -4.854 -14.462 1.00 0.00 C ATOM 1072 CG LYS A 71 20.538 -6.078 -15.164 1.00 0.00 C ATOM 1073 CD LYS A 71 20.964 -6.136 -16.622 1.00 0.00 C ATOM 1074 CE LYS A 71 22.472 -6.279 -16.756 1.00 0.00 C ATOM 1075 NZ LYS A 71 23.151 -4.955 -16.833 1.00 0.00 N ATOM 0 H LYS A 71 18.176 -3.660 -14.631 1.00 0.00 H new ATOM 0 HA LYS A 71 19.447 -4.670 -13.116 1.00 0.00 H new ATOM 0 HB2 LYS A 71 21.620 -4.231 -15.194 1.00 0.00 H new ATOM 0 HB3 LYS A 71 21.853 -5.175 -13.736 1.00 0.00 H new ATOM 0 HG2 LYS A 71 20.872 -6.980 -14.651 1.00 0.00 H new ATOM 0 HG3 LYS A 71 19.450 -6.061 -15.103 1.00 0.00 H new ATOM 0 HD2 LYS A 71 20.473 -6.976 -17.113 1.00 0.00 H new ATOM 0 HD3 LYS A 71 20.636 -5.232 -17.134 1.00 0.00 H new ATOM 0 HE2 LYS A 71 22.861 -6.837 -15.904 1.00 0.00 H new ATOM 0 HE3 LYS A 71 22.704 -6.858 -17.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 23.861 -4.973 -17.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.448 -4.215 -17.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 23.619 -4.752 -15.927 1.00 0.00 H new ATOM 1089 N ARG A 72 20.019 -2.637 -11.784 1.00 0.00 N ATOM 1090 CA ARG A 72 20.524 -1.668 -10.832 1.00 0.00 C ATOM 1091 C ARG A 72 21.838 -2.155 -10.231 1.00 0.00 C ATOM 1092 O ARG A 72 22.536 -2.983 -10.817 1.00 0.00 O ATOM 1093 CB ARG A 72 19.483 -1.431 -9.733 1.00 0.00 C ATOM 1094 CG ARG A 72 19.244 0.038 -9.431 1.00 0.00 C ATOM 1095 CD ARG A 72 18.239 0.220 -8.304 1.00 0.00 C ATOM 1096 NE ARG A 72 17.904 1.626 -8.092 1.00 0.00 N ATOM 1097 CZ ARG A 72 18.690 2.487 -7.450 1.00 0.00 C ATOM 1098 NH1 ARG A 72 19.858 2.092 -6.960 1.00 0.00 N ATOM 1099 NH2 ARG A 72 18.309 3.747 -7.301 1.00 0.00 N ATOM 0 H ARG A 72 19.105 -3.022 -11.548 1.00 0.00 H new ATOM 0 HA ARG A 72 20.712 -0.725 -11.346 1.00 0.00 H new ATOM 0 HB2 ARG A 72 18.541 -1.890 -10.031 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.808 -1.933 -8.822 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.187 0.513 -9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.881 0.540 -10.328 1.00 0.00 H new ATOM 0 HD2 ARG A 72 17.331 -0.338 -8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 72 18.646 -0.198 -7.384 1.00 0.00 H new ATOM 0 HE ARG A 72 17.015 1.968 -8.458 1.00 0.00 H new ATOM 0 HH11 ARG A 72 20.158 1.124 -7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 72 20.456 2.757 -6.469 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.413 4.057 -7.678 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.911 4.407 -6.809 1.00 0.00 H new ATOM 1113 N LYS A 73 22.165 -1.635 -9.064 1.00 0.00 N ATOM 1114 CA LYS A 73 23.392 -2.005 -8.370 1.00 0.00 C ATOM 1115 C LYS A 73 23.196 -1.967 -6.857 1.00 0.00 C ATOM 1116 O LYS A 73 22.092 -1.717 -6.372 1.00 0.00 O ATOM 1117 CB LYS A 73 24.531 -1.066 -8.771 1.00 0.00 C ATOM 1118 CG LYS A 73 24.874 -1.123 -10.251 1.00 0.00 C ATOM 1119 CD LYS A 73 26.087 -0.265 -10.574 1.00 0.00 C ATOM 1120 CE LYS A 73 26.356 -0.220 -12.069 1.00 0.00 C ATOM 1121 NZ LYS A 73 25.701 0.949 -12.718 1.00 0.00 N ATOM 0 H LYS A 73 21.595 -0.949 -8.570 1.00 0.00 H new ATOM 0 HA LYS A 73 23.650 -3.024 -8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 73 24.257 -0.044 -8.509 1.00 0.00 H new ATOM 0 HB3 LYS A 73 25.419 -1.317 -8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.069 -2.155 -10.541 1.00 0.00 H new ATOM 0 HG3 LYS A 73 24.020 -0.783 -10.837 1.00 0.00 H new ATOM 0 HD2 LYS A 73 25.928 0.747 -10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 73 26.962 -0.661 -10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.431 -0.176 -12.243 1.00 0.00 H new ATOM 0 HE3 LYS A 73 25.996 -1.140 -12.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 25.909 0.942 -13.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 24.672 0.894 -12.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 26.063 1.828 -12.296 1.00 0.00 H new ATOM 1135 N ASP A 74 24.272 -2.212 -6.119 1.00 0.00 N ATOM 1136 CA ASP A 74 24.221 -2.204 -4.663 1.00 0.00 C ATOM 1137 C ASP A 74 25.532 -1.686 -4.083 1.00 0.00 C ATOM 1138 O ASP A 74 26.484 -1.421 -4.816 1.00 0.00 O ATOM 1139 CB ASP A 74 23.933 -3.610 -4.131 1.00 0.00 C ATOM 1140 CG ASP A 74 22.454 -3.850 -3.896 1.00 0.00 C ATOM 1141 OD1 ASP A 74 21.642 -2.979 -4.277 1.00 0.00 O ATOM 1142 OD2 ASP A 74 22.108 -4.909 -3.332 1.00 0.00 O ATOM 0 H ASP A 74 25.192 -2.419 -6.507 1.00 0.00 H new ATOM 0 HA ASP A 74 23.415 -1.538 -4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 74 24.309 -4.347 -4.840 1.00 0.00 H new ATOM 0 HB3 ASP A 74 24.475 -3.760 -3.197 1.00 0.00 H new ATOM 1147 N ASN A 75 25.575 -1.542 -2.764 1.00 0.00 N ATOM 1148 CA ASN A 75 26.771 -1.054 -2.092 1.00 0.00 C ATOM 1149 C ASN A 75 27.941 -2.010 -2.290 1.00 0.00 C ATOM 1150 O ASN A 75 29.102 -1.598 -2.284 1.00 0.00 O ATOM 1151 CB ASN A 75 26.502 -0.858 -0.598 1.00 0.00 C ATOM 1152 CG ASN A 75 25.478 0.227 -0.333 1.00 0.00 C ATOM 1153 OD1 ASN A 75 25.176 1.038 -1.207 1.00 0.00 O ATOM 1154 ND2 ASN A 75 24.940 0.250 0.882 1.00 0.00 N ATOM 0 H ASN A 75 24.797 -1.756 -2.140 1.00 0.00 H new ATOM 0 HA ASN A 75 27.035 -0.094 -2.535 1.00 0.00 H new ATOM 0 HB2 ASN A 75 26.152 -1.797 -0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 75 27.435 -0.605 -0.094 1.00 0.00 H new ATOM 0 HD21 ASN A 75 24.247 0.960 1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 75 25.220 -0.442 1.577 1.00 0.00 H new ATOM 1161 N GLU A 76 27.628 -3.285 -2.468 1.00 0.00 N ATOM 1162 CA GLU A 76 28.650 -4.305 -2.670 1.00 0.00 C ATOM 1163 C GLU A 76 28.383 -5.106 -3.938 1.00 0.00 C ATOM 1164 O GLU A 76 28.632 -6.310 -3.990 1.00 0.00 O ATOM 1165 CB GLU A 76 28.710 -5.239 -1.462 1.00 0.00 C ATOM 1166 CG GLU A 76 29.402 -4.630 -0.253 1.00 0.00 C ATOM 1167 CD GLU A 76 29.487 -5.589 0.917 1.00 0.00 C ATOM 1168 OE1 GLU A 76 28.795 -6.629 0.886 1.00 0.00 O ATOM 1169 OE2 GLU A 76 30.248 -5.302 1.866 1.00 0.00 O ATOM 0 H GLU A 76 26.672 -3.640 -2.477 1.00 0.00 H new ATOM 0 HA GLU A 76 29.611 -3.803 -2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 76 27.695 -5.524 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 76 29.232 -6.153 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 76 30.407 -4.317 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 76 28.864 -3.734 0.055 1.00 0.00 H new ATOM 1176 N GLY A 77 27.874 -4.426 -4.959 1.00 0.00 N ATOM 1177 CA GLY A 77 27.580 -5.082 -6.221 1.00 0.00 C ATOM 1178 C GLY A 77 26.729 -6.328 -6.049 1.00 0.00 C ATOM 1179 O GLY A 77 26.836 -7.273 -6.830 1.00 0.00 O ATOM 0 H GLY A 77 27.659 -3.429 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 77 27.064 -4.382 -6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 77 28.515 -5.350 -6.713 1.00 0.00 H new ATOM 1183 N ASN A 78 25.887 -6.328 -5.022 1.00 0.00 N ATOM 1184 CA ASN A 78 25.018 -7.466 -4.749 1.00 0.00 C ATOM 1185 C ASN A 78 23.629 -7.251 -5.343 1.00 0.00 C ATOM 1186 O ASN A 78 23.066 -6.160 -5.252 1.00 0.00 O ATOM 1187 CB ASN A 78 24.908 -7.701 -3.242 1.00 0.00 C ATOM 1188 CG ASN A 78 26.247 -8.025 -2.607 1.00 0.00 C ATOM 1189 OD1 ASN A 78 26.634 -7.421 -1.607 1.00 0.00 O ATOM 1190 ND2 ASN A 78 26.962 -8.982 -3.188 1.00 0.00 N ATOM 0 H ASN A 78 25.788 -5.554 -4.366 1.00 0.00 H new ATOM 0 HA ASN A 78 25.460 -8.345 -5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 78 24.490 -6.813 -2.768 1.00 0.00 H new ATOM 0 HB3 ASN A 78 24.213 -8.519 -3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 78 27.871 -9.242 -2.806 1.00 0.00 H new ATOM 0 HD22 ASN A 78 26.602 -9.456 -4.016 1.00 0.00 H new ATOM 1197 N GLU A 79 23.083 -8.299 -5.950 1.00 0.00 N ATOM 1198 CA GLU A 79 21.759 -8.227 -6.559 1.00 0.00 C ATOM 1199 C GLU A 79 20.853 -9.329 -6.018 1.00 0.00 C ATOM 1200 O GLU A 79 21.272 -10.479 -5.880 1.00 0.00 O ATOM 1201 CB GLU A 79 21.867 -8.341 -8.080 1.00 0.00 C ATOM 1202 CG GLU A 79 20.543 -8.149 -8.800 1.00 0.00 C ATOM 1203 CD GLU A 79 20.651 -8.367 -10.298 1.00 0.00 C ATOM 1204 OE1 GLU A 79 21.757 -8.711 -10.769 1.00 0.00 O ATOM 1205 OE2 GLU A 79 19.634 -8.194 -10.999 1.00 0.00 O ATOM 0 H GLU A 79 23.537 -9.209 -6.034 1.00 0.00 H new ATOM 0 HA GLU A 79 21.321 -7.262 -6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 79 22.579 -7.599 -8.442 1.00 0.00 H new ATOM 0 HB3 GLU A 79 22.271 -9.321 -8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.808 -8.841 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.174 -7.141 -8.610 1.00 0.00 H new ATOM 1212 N VAL A 80 19.611 -8.972 -5.711 1.00 0.00 N ATOM 1213 CA VAL A 80 18.648 -9.931 -5.186 1.00 0.00 C ATOM 1214 C VAL A 80 17.242 -9.338 -5.153 1.00 0.00 C ATOM 1215 O VAL A 80 16.618 -9.244 -4.096 1.00 0.00 O ATOM 1216 CB VAL A 80 19.040 -10.397 -3.768 1.00 0.00 C ATOM 1217 CG1 VAL A 80 19.076 -9.219 -2.805 1.00 0.00 C ATOM 1218 CG2 VAL A 80 18.083 -11.473 -3.274 1.00 0.00 C ATOM 0 H VAL A 80 19.248 -8.025 -5.817 1.00 0.00 H new ATOM 0 HA VAL A 80 18.655 -10.791 -5.856 1.00 0.00 H new ATOM 0 HB VAL A 80 20.041 -10.827 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 80 19.354 -9.570 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.808 -8.489 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 80 18.091 -8.753 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 80 18.376 -11.789 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.069 -11.074 -3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 80 18.118 -12.328 -3.949 1.00 0.00 H new ATOM 1228 N VAL A 81 16.747 -8.938 -6.321 1.00 0.00 N ATOM 1229 CA VAL A 81 15.414 -8.356 -6.428 1.00 0.00 C ATOM 1230 C VAL A 81 14.582 -9.081 -7.484 1.00 0.00 C ATOM 1231 O VAL A 81 14.255 -8.514 -8.527 1.00 0.00 O ATOM 1232 CB VAL A 81 15.483 -6.858 -6.780 1.00 0.00 C ATOM 1233 CG1 VAL A 81 15.980 -6.051 -5.589 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.373 -6.634 -7.993 1.00 0.00 C ATOM 0 H VAL A 81 17.249 -9.007 -7.206 1.00 0.00 H new ATOM 0 HA VAL A 81 14.938 -8.470 -5.454 1.00 0.00 H new ATOM 0 HB VAL A 81 14.478 -6.516 -7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 81 16.022 -4.995 -5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.299 -6.185 -4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.976 -6.394 -5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.409 -5.570 -8.226 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.379 -6.993 -7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 81 15.969 -7.179 -8.846 1.00 0.00 H new ATOM 1244 N PRO A 82 14.227 -10.351 -7.225 1.00 0.00 N ATOM 1245 CA PRO A 82 13.428 -11.153 -8.159 1.00 0.00 C ATOM 1246 C PRO A 82 11.984 -10.674 -8.245 1.00 0.00 C ATOM 1247 O PRO A 82 11.281 -10.603 -7.238 1.00 0.00 O ATOM 1248 CB PRO A 82 13.491 -12.560 -7.560 1.00 0.00 C ATOM 1249 CG PRO A 82 13.727 -12.343 -6.106 1.00 0.00 C ATOM 1250 CD PRO A 82 14.574 -11.104 -6.005 1.00 0.00 C ATOM 0 HA PRO A 82 13.808 -11.092 -9.179 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.564 -13.106 -7.733 1.00 0.00 H new ATOM 0 HB3 PRO A 82 14.294 -13.145 -8.008 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.785 -12.217 -5.572 1.00 0.00 H new ATOM 0 HG3 PRO A 82 14.233 -13.199 -5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 82 14.347 -10.535 -5.104 1.00 0.00 H new ATOM 0 HD3 PRO A 82 15.636 -11.345 -5.971 1.00 0.00 H new ATOM 1258 N LYS A 83 11.546 -10.348 -9.457 1.00 0.00 N ATOM 1259 CA LYS A 83 10.183 -9.875 -9.678 1.00 0.00 C ATOM 1260 C LYS A 83 9.901 -8.617 -8.859 1.00 0.00 C ATOM 1261 O LYS A 83 10.630 -8.303 -7.918 1.00 0.00 O ATOM 1262 CB LYS A 83 9.177 -10.971 -9.316 1.00 0.00 C ATOM 1263 CG LYS A 83 8.788 -11.852 -10.492 1.00 0.00 C ATOM 1264 CD LYS A 83 7.329 -12.269 -10.415 1.00 0.00 C ATOM 1265 CE LYS A 83 7.060 -13.511 -11.250 1.00 0.00 C ATOM 1266 NZ LYS A 83 7.065 -14.749 -10.422 1.00 0.00 N ATOM 0 H LYS A 83 12.115 -10.403 -10.302 1.00 0.00 H new ATOM 0 HA LYS A 83 10.078 -9.628 -10.734 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.600 -11.596 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.279 -10.508 -8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.966 -11.316 -11.424 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.421 -12.739 -10.509 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.059 -12.462 -9.377 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.697 -11.452 -10.762 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.096 -13.412 -11.748 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.816 -13.594 -12.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.878 -15.573 -11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.993 -14.858 -9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.327 -14.682 -9.692 1.00 0.00 H new ATOM 1280 N PRO A 84 8.833 -7.880 -9.209 1.00 0.00 N ATOM 1281 CA PRO A 84 8.455 -6.652 -8.502 1.00 0.00 C ATOM 1282 C PRO A 84 7.926 -6.930 -7.099 1.00 0.00 C ATOM 1283 O PRO A 84 7.214 -7.911 -6.878 1.00 0.00 O ATOM 1284 CB PRO A 84 7.351 -6.060 -9.381 1.00 0.00 C ATOM 1285 CG PRO A 84 6.772 -7.229 -10.099 1.00 0.00 C ATOM 1286 CD PRO A 84 7.911 -8.185 -10.320 1.00 0.00 C ATOM 0 HA PRO A 84 9.307 -5.987 -8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.597 -5.551 -8.781 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.752 -5.325 -10.079 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.980 -7.694 -9.512 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.329 -6.924 -11.047 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.577 -9.222 -10.292 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.384 -8.029 -11.289 1.00 0.00 H new ATOM 1294 N GLN A 85 8.277 -6.063 -6.156 1.00 0.00 N ATOM 1295 CA GLN A 85 7.835 -6.217 -4.776 1.00 0.00 C ATOM 1296 C GLN A 85 6.413 -5.689 -4.604 1.00 0.00 C ATOM 1297 O GLN A 85 6.132 -4.530 -4.904 1.00 0.00 O ATOM 1298 CB GLN A 85 8.783 -5.480 -3.828 1.00 0.00 C ATOM 1299 CG GLN A 85 10.183 -6.066 -3.791 1.00 0.00 C ATOM 1300 CD GLN A 85 11.119 -5.288 -2.886 1.00 0.00 C ATOM 1301 OE1 GLN A 85 10.831 -4.153 -2.507 1.00 0.00 O ATOM 1302 NE2 GLN A 85 12.245 -5.896 -2.536 1.00 0.00 N ATOM 0 H GLN A 85 8.866 -5.247 -6.322 1.00 0.00 H new ATOM 0 HA GLN A 85 7.845 -7.279 -4.532 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.844 -4.434 -4.129 1.00 0.00 H new ATOM 0 HB3 GLN A 85 8.364 -5.498 -2.822 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.131 -7.100 -3.450 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.592 -6.084 -4.801 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.442 -6.838 -2.874 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.913 -5.422 -1.929 1.00 0.00 H new ATOM 1311 N ARG A 86 5.521 -6.548 -4.123 1.00 0.00 N ATOM 1312 CA ARG A 86 4.129 -6.166 -3.919 1.00 0.00 C ATOM 1313 C ARG A 86 3.750 -6.246 -2.443 1.00 0.00 C ATOM 1314 O ARG A 86 4.164 -7.163 -1.733 1.00 0.00 O ATOM 1315 CB ARG A 86 3.207 -7.066 -4.742 1.00 0.00 C ATOM 1316 CG ARG A 86 3.672 -7.263 -6.176 1.00 0.00 C ATOM 1317 CD ARG A 86 4.416 -8.578 -6.346 1.00 0.00 C ATOM 1318 NE ARG A 86 3.515 -9.727 -6.301 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.906 -10.983 -6.504 1.00 0.00 C ATOM 1320 NH1 ARG A 86 5.179 -11.256 -6.767 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.021 -11.969 -6.446 1.00 0.00 N ATOM 0 H ARG A 86 5.737 -7.512 -3.868 1.00 0.00 H new ATOM 0 HA ARG A 86 4.011 -5.134 -4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.133 -8.039 -4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.205 -6.637 -4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.811 -7.242 -6.845 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.321 -6.437 -6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.949 -8.572 -7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.166 -8.674 -5.561 1.00 0.00 H new ATOM 0 HE ARG A 86 2.529 -9.557 -6.103 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.863 -10.501 -6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.472 -12.221 -6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.042 -11.764 -6.246 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.319 -12.932 -6.601 1.00 0.00 H new ATOM 1335 N HIS A 87 2.956 -5.282 -1.990 1.00 0.00 N ATOM 1336 CA HIS A 87 2.515 -5.242 -0.602 1.00 0.00 C ATOM 1337 C HIS A 87 1.079 -5.743 -0.480 1.00 0.00 C ATOM 1338 O HIS A 87 0.145 -5.107 -0.968 1.00 0.00 O ATOM 1339 CB HIS A 87 2.618 -3.819 -0.050 1.00 0.00 C ATOM 1340 CG HIS A 87 3.980 -3.475 0.469 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.235 -3.207 1.798 1.00 0.00 N ATOM 1342 CD2 HIS A 87 5.169 -3.357 -0.170 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.518 -2.935 1.953 1.00 0.00 C ATOM 1344 NE2 HIS A 87 6.108 -3.021 0.775 1.00 0.00 N ATOM 0 H HIS A 87 2.604 -4.517 -2.566 1.00 0.00 H new ATOM 0 HA HIS A 87 3.165 -5.895 -0.020 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.349 -3.113 -0.836 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.891 -3.696 0.752 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.346 -3.500 -1.226 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.002 -2.685 2.885 1.00 0.00 H new ATOM 0 HE2 HIS A 87 7.100 -2.864 0.596 1.00 0.00 H new ATOM 1353 N MET A 88 0.910 -6.889 0.170 1.00 0.00 N ATOM 1354 CA MET A 88 -0.413 -7.476 0.352 1.00 0.00 C ATOM 1355 C MET A 88 -0.996 -7.099 1.709 1.00 0.00 C ATOM 1356 O MET A 88 -0.402 -7.373 2.750 1.00 0.00 O ATOM 1357 CB MET A 88 -0.342 -8.998 0.219 1.00 0.00 C ATOM 1358 CG MET A 88 -1.703 -9.671 0.198 1.00 0.00 C ATOM 1359 SD MET A 88 -1.591 -11.469 0.292 1.00 0.00 S ATOM 1360 CE MET A 88 -0.683 -11.829 -1.208 1.00 0.00 C ATOM 0 H MET A 88 1.672 -7.430 0.580 1.00 0.00 H new ATOM 0 HA MET A 88 -1.067 -7.080 -0.425 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.193 -9.250 -0.697 1.00 0.00 H new ATOM 0 HB3 MET A 88 0.240 -9.400 1.048 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.298 -9.304 1.034 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.228 -9.391 -0.715 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.189 -12.622 -1.758 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.633 -10.933 -1.827 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.327 -12.151 -0.954 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.166 -6.467 1.688 1.00 0.00 N ATOM 1371 CA PHE A 89 -2.833 -6.051 2.917 1.00 0.00 C ATOM 1372 C PHE A 89 -4.119 -6.838 3.137 1.00 0.00 C ATOM 1373 O PHE A 89 -4.705 -7.365 2.192 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.143 -4.555 2.870 1.00 0.00 C ATOM 1375 CG PHE A 89 -1.926 -3.688 3.007 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.420 -3.377 4.257 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.289 -3.183 1.884 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.299 -2.579 4.387 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.168 -2.385 2.008 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.328 -2.083 3.260 1.00 0.00 C ATOM 0 H PHE A 89 -2.671 -6.232 0.834 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.159 -6.253 3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.640 -4.324 1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.845 -4.312 3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.907 -3.762 5.141 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.673 -3.416 0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.086 -2.343 5.368 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.320 -1.998 1.126 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.205 -1.460 3.359 1.00 0.00 H new ATOM 1390 N SER A 90 -4.553 -6.910 4.390 1.00 0.00 N ATOM 1391 CA SER A 90 -5.774 -7.630 4.737 1.00 0.00 C ATOM 1392 C SER A 90 -6.753 -6.710 5.460 1.00 0.00 C ATOM 1393 O SER A 90 -6.449 -6.184 6.531 1.00 0.00 O ATOM 1394 CB SER A 90 -5.450 -8.843 5.611 1.00 0.00 C ATOM 1395 OG SER A 90 -4.052 -9.079 5.662 1.00 0.00 O ATOM 0 H SER A 90 -4.078 -6.479 5.183 1.00 0.00 H new ATOM 0 HA SER A 90 -6.239 -7.977 3.814 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.831 -8.680 6.619 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.956 -9.724 5.217 1.00 0.00 H new ATOM 0 HG SER A 90 -3.872 -9.858 6.228 1.00 0.00 H new ATOM 1401 N PHE A 91 -7.924 -6.512 4.864 1.00 0.00 N ATOM 1402 CA PHE A 91 -8.940 -5.649 5.447 1.00 0.00 C ATOM 1403 C PHE A 91 -9.996 -6.449 6.190 1.00 0.00 C ATOM 1404 O PHE A 91 -10.431 -7.505 5.734 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.604 -4.814 4.359 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.841 -3.573 4.021 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.796 -3.616 3.115 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.164 -2.367 4.615 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.085 -2.476 2.804 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.456 -1.219 4.310 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.414 -1.273 3.402 1.00 0.00 C ATOM 0 H PHE A 91 -8.191 -6.939 3.977 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.444 -4.994 6.164 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.714 -5.421 3.460 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.608 -4.539 4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.534 -4.553 2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.977 -2.321 5.324 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.272 -2.523 2.094 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.716 -0.282 4.780 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.859 -0.379 3.161 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.418 -5.923 7.331 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.442 -6.568 8.137 1.00 0.00 C ATOM 1423 C ASN A 92 -12.802 -5.917 7.894 1.00 0.00 C ATOM 1424 O ASN A 92 -13.761 -6.181 8.618 1.00 0.00 O ATOM 1425 CB ASN A 92 -11.081 -6.488 9.621 1.00 0.00 C ATOM 1426 CG ASN A 92 -9.856 -7.314 9.963 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -8.904 -6.813 10.561 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.874 -8.585 9.583 1.00 0.00 N ATOM 0 H ASN A 92 -10.065 -5.048 7.720 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.499 -7.617 7.845 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.902 -5.448 9.893 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.926 -6.832 10.217 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.077 -9.189 9.785 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.685 -8.958 9.089 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.882 -5.064 6.870 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.127 -4.385 6.547 1.00 0.00 C ATOM 1437 C ASN A 93 -14.168 -3.964 5.082 1.00 0.00 C ATOM 1438 O ASN A 93 -13.234 -3.338 4.578 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.315 -3.162 7.447 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.721 -2.600 7.370 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.581 -3.140 6.673 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.962 -1.509 8.088 1.00 0.00 N ATOM 0 H ASN A 93 -12.101 -4.832 6.257 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.942 -5.087 6.721 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.092 -3.435 8.478 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.601 -2.390 7.160 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.890 -1.085 8.076 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -15.219 -1.095 8.651 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.260 -4.310 4.405 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.430 -3.963 2.998 1.00 0.00 C ATOM 1451 C ARG A 94 -15.560 -2.454 2.824 1.00 0.00 C ATOM 1452 O ARG A 94 -15.206 -1.907 1.781 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.659 -4.664 2.420 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.459 -6.152 2.185 1.00 0.00 C ATOM 1455 CD ARG A 94 -17.566 -6.732 1.319 1.00 0.00 C ATOM 1456 NE ARG A 94 -17.727 -5.994 0.069 1.00 0.00 N ATOM 1457 CZ ARG A 94 -18.823 -6.040 -0.685 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -19.856 -6.790 -0.322 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -18.884 -5.334 -1.806 1.00 0.00 N ATOM 0 H ARG A 94 -16.039 -4.830 4.808 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.545 -4.299 2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.500 -4.522 3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.927 -4.189 1.476 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.495 -6.319 1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.434 -6.673 3.142 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.344 -7.776 1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.505 -6.717 1.872 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.953 -5.408 -0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.813 -7.335 0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -20.693 -6.821 -0.904 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.092 -4.757 -2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.723 -5.368 -2.385 1.00 0.00 H new ATOM 1473 N THR A 95 -16.066 -1.785 3.854 1.00 0.00 N ATOM 1474 CA THR A 95 -16.233 -0.347 3.815 1.00 0.00 C ATOM 1475 C THR A 95 -14.885 0.338 3.962 1.00 0.00 C ATOM 1476 O THR A 95 -14.557 1.269 3.226 1.00 0.00 O ATOM 1477 CB THR A 95 -17.199 0.090 4.923 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.501 0.289 4.404 1.00 0.00 O ATOM 1479 CG2 THR A 95 -16.790 1.362 5.630 1.00 0.00 C ATOM 0 H THR A 95 -16.367 -2.222 4.725 1.00 0.00 H new ATOM 0 HA THR A 95 -16.656 -0.055 2.854 1.00 0.00 H new ATOM 0 HB THR A 95 -17.177 -0.723 5.648 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.102 0.566 5.127 1.00 0.00 H new ATOM 0 HG21 THR A 95 -17.524 1.603 6.399 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.813 1.223 6.092 1.00 0.00 H new ATOM 0 HG23 THR A 95 -16.738 2.178 4.909 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.109 -0.143 4.916 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.785 0.401 5.175 1.00 0.00 C ATOM 1489 C VAL A 96 -11.832 0.061 4.041 1.00 0.00 C ATOM 1490 O VAL A 96 -10.935 0.837 3.714 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.205 -0.123 6.504 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -10.858 0.521 6.794 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.179 0.126 7.648 1.00 0.00 C ATOM 0 H VAL A 96 -14.374 -0.914 5.529 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.892 1.483 5.247 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.054 -1.199 6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.467 0.137 7.736 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.162 0.286 5.989 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.979 1.602 6.865 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.752 -0.251 8.578 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.365 1.196 7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.118 -0.389 7.445 1.00 0.00 H new ATOM 1503 N MET A 97 -12.039 -1.100 3.437 1.00 0.00 N ATOM 1504 CA MET A 97 -11.204 -1.538 2.329 1.00 0.00 C ATOM 1505 C MET A 97 -11.619 -0.836 1.041 1.00 0.00 C ATOM 1506 O MET A 97 -10.789 -0.568 0.171 1.00 0.00 O ATOM 1507 CB MET A 97 -11.279 -3.063 2.165 1.00 0.00 C ATOM 1508 CG MET A 97 -12.460 -3.548 1.338 1.00 0.00 C ATOM 1509 SD MET A 97 -12.082 -3.644 -0.422 1.00 0.00 S ATOM 1510 CE MET A 97 -11.097 -5.138 -0.476 1.00 0.00 C ATOM 0 H MET A 97 -12.777 -1.755 3.695 1.00 0.00 H new ATOM 0 HA MET A 97 -10.170 -1.271 2.549 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.357 -3.412 1.700 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.330 -3.521 3.153 1.00 0.00 H new ATOM 0 HG2 MET A 97 -12.768 -4.531 1.694 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.304 -2.875 1.488 1.00 0.00 H new ATOM 0 HE1 MET A 97 -10.801 -5.342 -1.505 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.206 -5.009 0.139 1.00 0.00 H new ATOM 0 HE3 MET A 97 -11.683 -5.974 -0.095 1.00 0.00 H new ATOM 1520 N ASP A 98 -12.908 -0.534 0.929 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.434 0.143 -0.245 1.00 0.00 C ATOM 1522 C ASP A 98 -13.180 1.643 -0.166 1.00 0.00 C ATOM 1523 O ASP A 98 -13.094 2.325 -1.189 1.00 0.00 O ATOM 1524 CB ASP A 98 -14.931 -0.130 -0.394 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.494 0.424 -1.689 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -15.385 -0.265 -2.725 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -16.042 1.546 -1.666 1.00 0.00 O ATOM 0 H ASP A 98 -13.607 -0.749 1.640 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.916 -0.248 -1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.107 -1.205 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.464 0.311 0.449 1.00 0.00 H new ATOM 1532 N ASN A 99 -13.059 2.153 1.054 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.812 3.570 1.267 1.00 0.00 C ATOM 1534 C ASN A 99 -11.368 3.926 0.936 1.00 0.00 C ATOM 1535 O ASN A 99 -11.067 5.048 0.531 1.00 0.00 O ATOM 1536 CB ASN A 99 -13.130 3.957 2.713 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.583 4.342 2.904 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -14.892 5.357 3.528 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -15.488 3.532 2.364 1.00 0.00 N ATOM 0 H ASN A 99 -13.128 1.604 1.911 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.467 4.130 0.600 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.889 3.122 3.371 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.494 4.791 3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -16.482 3.742 2.459 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -15.189 2.701 1.854 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.483 2.956 1.116 1.00 0.00 N ATOM 1547 CA ILE A 100 -9.064 3.148 0.841 1.00 0.00 C ATOM 1548 C ILE A 100 -8.745 2.884 -0.628 1.00 0.00 C ATOM 1549 O ILE A 100 -7.965 3.609 -1.247 1.00 0.00 O ATOM 1550 CB ILE A 100 -8.198 2.223 1.720 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.454 2.501 3.205 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.722 2.390 1.387 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.887 3.820 3.685 1.00 0.00 C ATOM 0 H ILE A 100 -10.723 2.024 1.453 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.831 4.187 1.075 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.477 1.190 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.529 2.490 3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.022 1.694 3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.129 1.728 2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.554 2.138 0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.424 3.423 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.108 3.947 4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.807 3.828 3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.337 4.637 3.121 1.00 0.00 H new ATOM 1565 N LYS A 101 -9.345 1.834 -1.178 1.00 0.00 N ATOM 1566 CA LYS A 101 -9.118 1.466 -2.572 1.00 0.00 C ATOM 1567 C LYS A 101 -9.402 2.635 -3.512 1.00 0.00 C ATOM 1568 O LYS A 101 -8.735 2.800 -4.532 1.00 0.00 O ATOM 1569 CB LYS A 101 -9.982 0.253 -2.949 1.00 0.00 C ATOM 1570 CG LYS A 101 -11.429 0.594 -3.280 1.00 0.00 C ATOM 1571 CD LYS A 101 -12.145 -0.580 -3.931 1.00 0.00 C ATOM 1572 CE LYS A 101 -12.286 -1.751 -2.971 1.00 0.00 C ATOM 1573 NZ LYS A 101 -12.171 -3.060 -3.671 1.00 0.00 N ATOM 0 H LYS A 101 -9.992 1.222 -0.681 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.066 1.201 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.533 -0.246 -3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.968 -0.459 -2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.954 0.881 -2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.457 1.454 -3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.132 -0.264 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.593 -0.898 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.518 -1.683 -2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.250 -1.693 -2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.694 -3.745 -3.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.121 -3.411 -3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.618 -2.940 -4.544 1.00 0.00 H new ATOM 1587 N MET A 102 -10.402 3.441 -3.167 1.00 0.00 N ATOM 1588 CA MET A 102 -10.777 4.586 -3.989 1.00 0.00 C ATOM 1589 C MET A 102 -9.832 5.758 -3.777 1.00 0.00 C ATOM 1590 O MET A 102 -9.353 6.366 -4.734 1.00 0.00 O ATOM 1591 CB MET A 102 -12.214 5.012 -3.686 1.00 0.00 C ATOM 1592 CG MET A 102 -13.252 3.972 -4.073 1.00 0.00 C ATOM 1593 SD MET A 102 -14.942 4.569 -3.874 1.00 0.00 S ATOM 1594 CE MET A 102 -14.960 4.957 -2.126 1.00 0.00 C ATOM 0 H MET A 102 -10.966 3.322 -2.325 1.00 0.00 H new ATOM 0 HA MET A 102 -10.706 4.280 -5.033 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.304 5.224 -2.621 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.428 5.941 -4.215 1.00 0.00 H new ATOM 0 HG2 MET A 102 -13.095 3.676 -5.110 1.00 0.00 H new ATOM 0 HG3 MET A 102 -13.112 3.080 -3.463 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.893 4.606 -1.685 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.119 4.466 -1.636 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.879 6.036 -1.992 1.00 0.00 H new ATOM 1604 N THR A 103 -9.569 6.069 -2.522 1.00 0.00 N ATOM 1605 CA THR A 103 -8.680 7.171 -2.180 1.00 0.00 C ATOM 1606 C THR A 103 -7.276 6.912 -2.711 1.00 0.00 C ATOM 1607 O THR A 103 -6.617 7.816 -3.221 1.00 0.00 O ATOM 1608 CB THR A 103 -8.656 7.393 -0.661 1.00 0.00 C ATOM 1609 OG1 THR A 103 -8.320 8.736 -0.358 1.00 0.00 O ATOM 1610 CG2 THR A 103 -7.675 6.501 0.073 1.00 0.00 C ATOM 0 H THR A 103 -9.958 5.575 -1.719 1.00 0.00 H new ATOM 0 HA THR A 103 -9.059 8.078 -2.651 1.00 0.00 H new ATOM 0 HB THR A 103 -9.662 7.145 -0.324 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.641 8.959 0.541 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.716 6.717 1.141 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.936 5.456 -0.097 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.667 6.688 -0.297 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.829 5.668 -2.596 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.506 5.287 -3.073 1.00 0.00 C ATOM 1620 C LEU A 104 -5.428 5.420 -4.587 1.00 0.00 C ATOM 1621 O LEU A 104 -4.377 5.751 -5.136 1.00 0.00 O ATOM 1622 CB LEU A 104 -5.178 3.852 -2.655 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.788 3.678 -1.187 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.409 2.232 -0.904 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.641 4.611 -0.827 1.00 0.00 C ATOM 0 H LEU A 104 -7.363 4.906 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.774 5.958 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.044 3.223 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.362 3.486 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.648 3.935 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.134 2.127 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.257 1.584 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.564 1.948 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.376 4.474 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.777 4.384 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.947 5.644 -0.992 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.546 5.164 -5.261 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.597 5.260 -6.714 1.00 0.00 C ATOM 1639 C GLN A 105 -6.416 6.699 -7.168 1.00 0.00 C ATOM 1640 O GLN A 105 -5.839 6.960 -8.224 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.920 4.703 -7.242 1.00 0.00 C ATOM 1642 CG GLN A 105 -7.925 3.191 -7.397 1.00 0.00 C ATOM 1643 CD GLN A 105 -9.288 2.649 -7.780 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -10.136 2.404 -6.921 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -9.506 2.457 -9.076 1.00 0.00 N ATOM 0 H GLN A 105 -7.426 4.889 -4.824 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.779 4.665 -7.121 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.723 4.993 -6.564 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.137 5.160 -8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.198 2.905 -8.157 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.606 2.732 -6.461 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.775 2.674 -9.754 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -10.404 2.093 -9.394 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.904 7.629 -6.361 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.786 9.043 -6.679 1.00 0.00 C ATOM 1656 C GLN A 106 -5.327 9.470 -6.663 1.00 0.00 C ATOM 1657 O GLN A 106 -4.880 10.219 -7.532 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.595 9.887 -5.691 1.00 0.00 C ATOM 1659 CG GLN A 106 -9.085 9.586 -5.712 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.706 9.812 -7.076 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.515 10.861 -7.692 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -10.457 8.827 -7.555 1.00 0.00 N ATOM 0 H GLN A 106 -7.384 7.430 -5.483 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.187 9.203 -7.680 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.213 9.719 -4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.443 10.942 -5.918 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.247 8.551 -5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.589 10.215 -4.978 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.588 7.975 -7.010 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.902 8.923 -8.468 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.581 8.973 -5.682 1.00 0.00 N ATOM 1672 CA ILE A 107 -3.166 9.290 -5.574 1.00 0.00 C ATOM 1673 C ILE A 107 -2.440 8.872 -6.849 1.00 0.00 C ATOM 1674 O ILE A 107 -1.616 9.614 -7.383 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.529 8.587 -4.360 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -3.187 9.069 -3.066 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -1.028 8.835 -4.326 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.885 8.195 -1.871 1.00 0.00 C ATOM 0 H ILE A 107 -4.933 8.352 -4.954 1.00 0.00 H new ATOM 0 HA ILE A 107 -3.071 10.367 -5.435 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.693 7.513 -4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.854 10.085 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.266 9.111 -3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.595 8.331 -3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.574 8.446 -5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.838 9.906 -4.254 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.385 8.598 -0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.243 7.183 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.809 8.173 -1.699 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.778 7.685 -7.341 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.189 7.161 -8.571 1.00 0.00 C ATOM 1692 C ILE A 108 -2.326 8.173 -9.688 1.00 0.00 C ATOM 1693 O ILE A 108 -1.358 8.532 -10.358 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.887 5.867 -9.027 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -3.155 4.935 -7.844 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -2.059 5.169 -10.089 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.968 4.753 -6.926 1.00 0.00 C ATOM 0 H ILE A 108 -3.460 7.064 -6.905 1.00 0.00 H new ATOM 0 HA ILE A 108 -1.140 6.954 -8.358 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.851 6.135 -9.459 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.991 5.328 -7.266 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.461 3.960 -8.224 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.564 4.255 -10.402 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.937 5.829 -10.948 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.079 4.920 -9.681 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.237 4.079 -6.113 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.135 4.329 -7.488 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.674 5.719 -6.515 1.00 0.00 H new ATOM 1709 N SER A 109 -3.551 8.616 -9.871 1.00 0.00 N ATOM 1710 CA SER A 109 -3.880 9.593 -10.904 1.00 0.00 C ATOM 1711 C SER A 109 -3.001 10.829 -10.789 1.00 0.00 C ATOM 1712 O SER A 109 -2.615 11.430 -11.791 1.00 0.00 O ATOM 1713 CB SER A 109 -5.354 9.990 -10.809 1.00 0.00 C ATOM 1714 OG SER A 109 -5.546 11.025 -9.860 1.00 0.00 O ATOM 0 H SER A 109 -4.350 8.314 -9.313 1.00 0.00 H new ATOM 0 HA SER A 109 -3.696 9.131 -11.874 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.709 10.319 -11.786 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.950 9.121 -10.529 1.00 0.00 H new ATOM 0 HG SER A 109 -5.666 10.634 -8.969 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.690 11.196 -9.557 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.855 12.360 -9.294 1.00 0.00 C ATOM 1722 C ARG A 110 -0.433 12.131 -9.784 1.00 0.00 C ATOM 1723 O ARG A 110 0.246 13.065 -10.210 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.851 12.692 -7.801 1.00 0.00 C ATOM 1725 CG ARG A 110 -3.219 13.073 -7.259 1.00 0.00 C ATOM 1726 CD ARG A 110 -3.135 13.548 -5.818 1.00 0.00 C ATOM 1727 NE ARG A 110 -4.458 13.758 -5.232 1.00 0.00 N ATOM 1728 CZ ARG A 110 -4.679 14.492 -4.144 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -3.671 15.088 -3.520 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -5.913 14.631 -3.678 1.00 0.00 N ATOM 0 H ARG A 110 -3.003 10.704 -8.720 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.275 13.205 -9.840 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.477 11.831 -7.247 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.157 13.513 -7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.650 13.860 -7.878 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.888 12.215 -7.322 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.589 12.814 -5.226 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.568 14.478 -5.775 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.259 13.316 -5.684 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.720 14.985 -3.874 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.847 15.649 -2.687 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.692 14.175 -4.153 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.083 15.193 -2.844 1.00 0.00 H new ATOM 1744 N TYR A 111 0.008 10.884 -9.726 1.00 0.00 N ATOM 1745 CA TYR A 111 1.349 10.529 -10.171 1.00 0.00 C ATOM 1746 C TYR A 111 1.447 10.597 -11.689 1.00 0.00 C ATOM 1747 O TYR A 111 2.514 10.862 -12.245 1.00 0.00 O ATOM 1748 CB TYR A 111 1.726 9.132 -9.678 1.00 0.00 C ATOM 1749 CG TYR A 111 2.260 9.116 -8.263 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.573 9.477 -7.992 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.449 8.741 -7.200 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.064 9.466 -6.700 1.00 0.00 C ATOM 1753 CE2 TYR A 111 1.932 8.728 -5.906 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.239 9.089 -5.661 1.00 0.00 C ATOM 1755 OH TYR A 111 3.724 9.077 -4.372 1.00 0.00 O ATOM 0 H TYR A 111 -0.542 10.100 -9.375 1.00 0.00 H new ATOM 0 HA TYR A 111 2.050 11.248 -9.747 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.850 8.486 -9.735 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.477 8.710 -10.346 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.221 9.771 -8.804 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.425 8.455 -7.388 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.087 9.751 -6.505 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.288 8.436 -5.090 1.00 0.00 H new ATOM 0 HH TYR A 111 2.976 9.026 -3.741 1.00 0.00 H new ATOM 1765 N LYS A 112 0.324 10.359 -12.351 1.00 0.00 N ATOM 1766 CA LYS A 112 0.268 10.398 -13.805 1.00 0.00 C ATOM 1767 C LYS A 112 0.422 11.826 -14.315 1.00 0.00 C ATOM 1768 O LYS A 112 1.004 12.060 -15.374 1.00 0.00 O ATOM 1769 CB LYS A 112 -1.050 9.804 -14.302 1.00 0.00 C ATOM 1770 CG LYS A 112 -1.307 8.390 -13.804 1.00 0.00 C ATOM 1771 CD LYS A 112 -0.211 7.433 -14.249 1.00 0.00 C ATOM 1772 CE LYS A 112 0.456 6.757 -13.062 1.00 0.00 C ATOM 1773 NZ LYS A 112 1.560 5.852 -13.486 1.00 0.00 N ATOM 0 H LYS A 112 -0.564 10.136 -11.902 1.00 0.00 H new ATOM 0 HA LYS A 112 1.094 9.802 -14.193 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.871 10.447 -13.985 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.050 9.802 -15.392 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.369 8.392 -12.716 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.270 8.041 -14.178 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.634 6.676 -14.909 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.536 7.978 -14.826 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.849 7.516 -12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.287 6.187 -12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.989 5.411 -12.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.182 5.112 -14.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.282 6.400 -13.996 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.107 12.779 -13.552 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.030 14.187 -13.925 1.00 0.00 C ATOM 1789 C ASP A 113 1.422 14.636 -14.061 1.00 0.00 C ATOM 1790 O ASP A 113 1.758 15.427 -14.941 1.00 0.00 O ATOM 1791 CB ASP A 113 -0.748 15.051 -12.887 1.00 0.00 C ATOM 1792 CG ASP A 113 -0.859 16.501 -13.320 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -1.799 16.824 -14.077 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -0.008 17.312 -12.901 1.00 0.00 O ATOM 0 H ASP A 113 -0.593 12.601 -12.673 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.521 14.308 -14.891 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.746 14.649 -12.711 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.212 14.997 -11.940 1.00 0.00 H new ATOM 1799 N ALA A 114 2.277 14.125 -13.181 1.00 0.00 N ATOM 1800 CA ALA A 114 3.693 14.472 -13.201 1.00 0.00 C ATOM 1801 C ALA A 114 4.337 14.070 -14.524 1.00 0.00 C ATOM 1802 O ALA A 114 5.262 14.728 -15.000 1.00 0.00 O ATOM 1803 CB ALA A 114 4.415 13.810 -12.038 1.00 0.00 C ATOM 0 H ALA A 114 2.014 13.469 -12.445 1.00 0.00 H new ATOM 0 HA ALA A 114 3.779 15.554 -13.098 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.471 14.078 -12.066 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.979 14.149 -11.098 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.313 12.728 -12.115 1.00 0.00 H new ATOM 1809 N ASP A 115 3.842 12.986 -15.112 1.00 0.00 N ATOM 1810 CA ASP A 115 4.369 12.497 -16.380 1.00 0.00 C ATOM 1811 C ASP A 115 3.834 13.321 -17.546 1.00 0.00 C ATOM 1812 O ASP A 115 4.499 14.304 -17.930 1.00 0.00 O ATOM 1813 CB ASP A 115 4.006 11.022 -16.573 1.00 0.00 C ATOM 1814 CG ASP A 115 4.675 10.124 -15.550 1.00 0.00 C ATOM 1815 OD1 ASP A 115 5.648 10.573 -14.910 1.00 0.00 O ATOM 1816 OD2 ASP A 115 4.225 8.970 -15.391 1.00 0.00 O ATOM 1817 OXT ASP A 115 2.753 12.973 -18.068 1.00 0.00 O ATOM 0 H ASP A 115 3.077 12.430 -14.731 1.00 0.00 H new ATOM 0 HA ASP A 115 5.454 12.597 -16.356 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.925 10.905 -16.504 1.00 0.00 H new ATOM 0 HB3 ASP A 115 4.297 10.707 -17.575 1.00 0.00 H new TER 1822 ASP A 115